Geometry & MOs

Info

ID:	327891
PubChem CID:	126691248
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	486.263091
ΔH_f, kcal/mol:	-93.55
Dipole, Da:	7.85
IP(EA), eV:	-9.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(2-methylprop-1-enyl)-N'-[(3S)-2-oxo-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC(C)C)CC(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations