Geometry & MOs

Info

ID:	188909
PubChem CID:	77783178
Reduced:	FO8C33H39 (1)
Stoich.:	AB8C33D39 (1)
Weight, g/mol:	380.151826
ΔH_f, kcal/mol:	-361.76
Dipole, Da:	9.85
IP(EA), eV:	-9.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-cyclopropyl-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)C)F)O)C)C(=O)COC(=O)CC5=CC=CC=C5

DOS

IR

Vibrations