Geometry & MOs

Info

ID:	162361
PubChem CID:	57394430
Reduced:	N3O3H21C28 (1)
Stoich.:	A3B3C21D28 (1)
Weight, g/mol:	461.173942
ΔH_f, kcal/mol:	14.57
Dipole, Da:	4.57
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC=O)NC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations