Geometry & MOs

Info

ID:	67696
PubChem CID:	46506988
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	435.140533
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	5.92
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=NN2)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations