Geometry & MOs

Info

ID:	234790
PubChem CID:	92303498
Reduced:	FSN2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	396.187149
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	1.88
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations