Geometry & MOs

Info

ID:	59559
PubChem CID:	24875300
Reduced:	PSN2O7C13H21 (1)
Stoich.:	ABC2D7E13F21 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-346.09
Dipole, Da:	5.05
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNC(CCSC)C(=O)O)COP(=O)(O)O

DOS

IR

Vibrations