Geometry & MOs

Info

ID:	133526
PubChem CID:	51540103
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-123.48
Dipole, Da:	6.04
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)[C@@H](C)NC(=O)C[C@H](C2=CC=C(C=C2)Cl)NC(=O)C

DOS

IR

Vibrations