Geometry & MOs

Info

ID:	12000
PubChem CID:	125750
Reduced:	NPO10C42H78 (1)
Stoich.:	ABC10D42E78 (1)
Weight, g/mol:	787.536335
ΔH_f, kcal/mol:	-619.88
Dipole, Da:	6.3
IP(EA), eV:	-9.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[[(2R)-2,3-di(octadec-9-enoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations