Geometry & MOs

Info

ID:	235120
PubChem CID:	92304070
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-29.7
Dipole, Da:	4.78
IP(EA), eV:	-8.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations