Geometry & MOs

Info

ID:	142580
PubChem CID:	53060373
Reduced:	BrSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-7.57
Dipole, Da:	4.35
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)N2CCC3=C(C2)SC(=N3)C4=CC(=CC=C4)OC)Br

DOS

IR

Vibrations