Geometry & MOs

Info

ID:	138109
PubChem CID:	52315370
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	3.2
IP(EA), eV:	-9.11(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-[[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC(=C1)CNC(=O)[C@@H](C)OC2=CC=CC=C2Cl

DOS

IR

Vibrations