Geometry & MOs

Info

ID:	234820
PubChem CID:	92303552
Reduced:	FSN2O2C24H29 (1)
Stoich.:	ABC2D2E24F29 (1)
Weight, g/mol:	428.193378
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	7.74
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations