Geometry & MOs

Info

ID:	162391
PubChem CID:	57394533
Reduced:	NCl2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-35.47
Dipole, Da:	6.7
IP(EA), eV:	-9.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CNC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations