Geometry & MOs

Info

ID:	142491
PubChem CID:	53043534
Reduced:	OS2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	447.117211
ΔH_f, kcal/mol:	56.37
Dipole, Da:	4.36
IP(EA), eV:	-8.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[[2-(4-methylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CS4)C

DOS

IR

Vibrations