Geometry & MOs

Info

ID:	229385
PubChem CID:	87567522
Reduced:	NPSO2C9H21 (1)
Stoich.:	ABCD2E9F21 (1)
Weight, g/mol:	334.196651
ΔH_f, kcal/mol:	-138.88
Dipole, Da:	1.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766143
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CC(C)N(CCCS[P+](=O)O)C(C)C

DOS

IR

Vibrations