Geometry & MOs

Info

ID:	161155
PubChem CID:	57390909
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	4.41
IP(EA), eV:	-9.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC=O

DOS

IR

Vibrations