Geometry & MOs

Info

ID:	138031
PubChem CID:	52301433
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	4.91
IP(EA), eV:	-8.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N[C@@H](C)C2=CC=CC=C2Cl)NC(=O)C

DOS

IR

Vibrations