Geometry & MOs

Info

ID:	234969
PubChem CID:	92303803
Reduced:	FN2O2S2H17C21 (1)
Stoich.:	AB2C2D2E17F21 (1)
Weight, g/mol:	412.071548
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	7.27
IP(EA), eV:	-8.82(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)F

DOS

IR

Vibrations