Geometry & MOs

Info

ID:	235097
PubChem CID:	92304035
Reduced:	FSN2O3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	416.155849
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	7.4
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4=CC=CO4)F

DOS

IR

Vibrations