Geometry & MOs

Info

ID:	402306
PubChem CID:	135055404
Reduced:	FNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	247.070071
ΔH_f, kcal/mol:	-233.2
Dipole, Da:	2.49
IP(EA), eV:	-9.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-hydroxy-2-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=C(C=C1)F)[NH3+].CC(=O)[O-]

DOS

IR

Vibrations