Geometry & MOs

Info

ID:	234958
PubChem CID:	92303784
Reduced:	FSN2O2C23H27 (1)
Stoich.:	ABC2D2E23F27 (1)
Weight, g/mol:	414.177727
ΔH_f, kcal/mol:	-114.78
Dipole, Da:	8.14
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethyl-N-[4-[(2S)-3-(3-fluorophenyl)-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(=CC=C3)F

DOS

IR

Vibrations