Geometry & MOs

Info

ID:	235034
PubChem CID:	92303921
Reduced:	OCl2N2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	402.140199
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	4.77
IP(EA), eV:	-8.45(-0.25)
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]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@H](CC(=O)NCC(C)C)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations