Geometry & MOs

Info

ID:	235056
PubChem CID:	92303958
Reduced:	FSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	400.162077
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	6.24
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations