Geometry & MOs

Info

ID:	82715
PubChem CID:	49856386
Reduced:	O5N6C19H20 (1)
Stoich.:	A5B6C19D20 (1)
Weight, g/mol:	795.274955
ΔH_f, kcal/mol:	-139.29
Dipole, Da:	8.83
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,18R)-18-tert-butyl-N-[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-17,20-dioxospiro[12,21,24-trioxa-10,16,19-triazapentacyclo[23.3.1.113,16.02,11.04,9]triaconta-1(29),2,4,6,8,10,25,27-octaene-22,1'-cyclopropane]-15-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

C1=CC(=CC=C1C(=O)N[C@@H](CCO)C(=O)O)NCC2=CC3=C(NC(=NC3=O)N)N=C2

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

C1=CC(=CC=C1C(=O)N[C@@H](CCO)C(=O)O)NCC2=CC3=C(NC(=NC3=O)N)N=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):