Geometry & MOs

Info

ID:	235117
PubChem CID:	92304065
Reduced:	ClON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	5.36
IP(EA), eV:	-8.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C[C@H](C1=CC=CC=C1Cl)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations