Geometry & MOs

Info

ID:	142452
PubChem CID:	53035216
Reduced:	SN2O2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	371.085911
ΔH_f, kcal/mol:	5.91
Dipole, Da:	1.8
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CSC3=C2N=CN(C3=O)CCOC4=CC=CC=C4

DOS

IR

Vibrations