Geometry & MOs

Info

ID:	140905
PubChem CID:	52781243
Reduced:	ClN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	5.49
IP(EA), eV:	-8.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1[C@@H](CNC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3C#N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations