Geometry & MOs

Info

ID:	140906
PubChem CID:	52781461
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	1.94
IP(EA), eV:	-9.31(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-2-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1=CC=CC=C1CCC2=CC=CC=C2

DOS

IR

Vibrations