Geometry & MOs

Info

ID:	142888
PubChem CID:	53109509
Reduced:	ClSO2N3H26C27 (1)
Stoich.:	ABC2D3E26F27 (1)
Weight, g/mol:	461.157326
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	5.84
IP(EA), eV:	-8.65(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C(=C3)C)C)N=C(C2)C4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations