Geometry & MOs

Info

ID:	61157
PubChem CID:	26706296
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-106.13
Dipole, Da:	5.41
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations