Geometry & MOs

Info

ID:	234957
PubChem CID:	92303780
Reduced:	NF2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	414.177727
ΔH_f, kcal/mol:	-187.54
Dipole, Da:	2.68
IP(EA), eV:	-9.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)C[C@H]1C2=CC(=CC=C2)F)CC3=CC(=CC=C3)F)C

DOS

IR

Vibrations