Geometry & MOs

Info

ID:	234910
PubChem CID:	92303699
Reduced:	FSN2O3C21H29 (1)
Stoich.:	ABC2D3E21F29 (1)
Weight, g/mol:	408.188292
ΔH_f, kcal/mol:	-173.08
Dipole, Da:	5.77
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-cyclohexyl-3-(3-fluorobenzoyl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)[C@@H]1CS[C@@H](N1C(=O)C2=CC(=CC=C2)F)C3CCCCC3

DOS

IR

Vibrations