Geometry & MOs

Info

ID:

141761

PubChem CID:

52925599

Reduced:

NPO10C42H78 (1)

Stoich.:

ABC10D42E78 (1)

Weight, g/mol:

785.520685

ΔHf, kcal/mol:

-618.95

Dipole, Da:

6.16

IP(EA), eV:

 -9.43(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCC

DOS

IR

Vibrations