Geometry & MOs

Info

ID:

176395

PubChem CID:

76043666

Reduced:

N4O37C85H152 (1)

Stoich.:

A4B37C85D152 (1)

Weight, g/mol:

830.700266

ΔHf, kcal/mol:

-1856.99

Dipole, Da:

18.34

IP(EA), eV:

 -9.95(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[(2-docosanoyloxy-3-octadec-9-enoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)OC4(CC(C(C(O4)C(C(CO)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(CCCCCCCCCCCCCCC)O

DOS

IR

Vibrations