Geometry & MOs

Info

ID:	161192
PubChem CID:	57391010
Reduced:	ClO2N4C9H11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	387.121906
ΔH_f, kcal/mol:	-53.76
Dipole, Da:	1.78
IP(EA), eV:	-8.51(-0.2)
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]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)N=C(N)N)Cl)N

DOS

IR

Vibrations