Geometry & MOs

Info

ID:	46121
PubChem CID:	10522187
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	3.64
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2-cyclohexyl-2-oxoethyl)-9-methyl-5-propan-2-yl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

COC(=O)/C(=C/1\CCCN1CC2=CC=CC=C2)/CC(=O)C3=CC=CS3

DOS

IR

Vibrations