Geometry & MOs

Info

ID:	82989
PubChem CID:	49856949
Reduced:	BrNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	782.279707
ΔH_f, kcal/mol:	-169.96
Dipole, Da:	5.06
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,18S)-18-tert-butyl-N-[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-17,20-dioxo-12,21,25-trioxa-16,19-diazapentacyclo[24.3.1.113,16.02,11.04,9]hentriaconta-1(30),2,4,6,8,10,26,28-octaene-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

CC(=O)N1CCC2(CC1)C(C(C3=C(O2)C=C(C=C3)O)O)Br

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(=O)N1CCC2(CC1)C(C(C3=C(O2)C=C(C=C3)O)O)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):