Geometry & MOs

Info

ID:

148029

PubChem CID:

53787691

Reduced:

ClNO3C19H41 (1)

Stoich.:

ABC3D19E41 (1)

Weight, g/mol:

339.99605

ΔHf, kcal/mol:

-217.76

Dipole, Da:

2.22

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.752544

Charge, e:

0

Chem-info

IUPAC name:

2-hydroxy-3-[hydroxy-(2-hydroxy-3-phosphonooxypropoxy)phosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCC([N+](C)(C(CCCCC)O)C(CCCCCCl)O)O

DOS

IR

Vibrations