Geometry & MOs

Info

ID:	235119
PubChem CID:	92304068
Reduced:	SN2O2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	416.155849
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	4.73
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1N2[C@@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C4CCC4

DOS

IR

Vibrations