Geometry & MOs

Info

ID:	59561
PubChem CID:	24875303
Reduced:	SO3C22H32 (1)
Stoich.:	AB3C22D32 (1)
Weight, g/mol:	326.191566
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	1.31
IP(EA), eV:	-9.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E,10S,12Z)-6-oxo-10-sulfanyloctadeca-8,12-dienoic acid

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](/C=C/CC(=O)CCC(=O)O)S

DOS

IR

Vibrations