Geometry & MOs

Info

ID:	176698
PubChem CID:	76083965
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	330.222866
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	3.92
IP(EA), eV:	-8.65(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-hydroxy-18-sulfanyloctadec-9-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CCSC)NC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations