Geometry & MOs

Info

ID:

215243

PubChem CID:

85084418

Reduced:

O11C44H68 (1)

Stoich.:

A11B44C68 (1)

Weight, g/mol:

660.343095

ΔHf, kcal/mol:

-570.46

Dipole, Da:

3.18

IP(EA), eV:

 -9.04(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[[3-(1-carboxy-4-hydroxynonadeca-6,8-dien-5-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]carbamoyl-methylamino]benzenediazonium

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)COC(=O)C)C)C)C)C)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations