Geometry & MOs

Info

ID:	48678
PubChem CID:	11110470
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	6.24
IP(EA), eV:	-9.56(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoic acid

Drug info:

PubChemData

Smile

C=CCN(C1CCCCC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations