Geometry & MOs

Info

ID:	142581
PubChem CID:	53060513
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	4.46
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)CC(=NC3=CC=CC=C32)C4=CC=CS4)Cl

DOS

IR

Vibrations