Geometry & MOs

Info

ID:	81976
PubChem CID:	49855430
Reduced:	SN5O9C34H43 (1)
Stoich.:	AB5C9D34E43 (1)
Weight, g/mol:	733.259305
ΔH_f, kcal/mol:	-312.81
Dipole, Da:	8.27
IP(EA), eV:	-8.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S,14S,18S)-14-tert-butyl-N-[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-18-methyl-13,16-dioxo-8,17,20-trioxa-6,12,15-triazatetracyclo[19.3.1.19,12.02,7]hexacosa-1(25),2(7),3,5,21,23-hexaene-11-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H]1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3CC4CN3C(=O)[C@@H](NC(=O)OCCOC5=CC=CC(=C5)C6=C(O4)N=CC=C6)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H]1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3CC4CN3C(=O)[C@@H](NC(=O)OCCOC5=CC=CC(=C5)C6=C(O4)N=CC=C6)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):