Geometry & MOs

Info

ID:	234907
PubChem CID:	92303689
Reduced:	SN2O2F3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	416.155849
ΔH_f, kcal/mol:	-206.29
Dipole, Da:	3.48
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=CC(=C1)[C@H]2N(C(=O)CS2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations