Geometry & MOs

Info

ID:	175860
PubChem CID:	75961116
Reduced:	PO13C53H95 (1)
Stoich.:	AB13C53D95 (1)
Weight, g/mol:	836.54148
ΔH_f, kcal/mol:	-765.64
Dipole, Da:	5.75
IP(EA), eV:	-9.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hexadec-9-enoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

DOS

IR

Vibrations