Geometry & MOs

Info

ID:	187479
PubChem CID:	77577967
Reduced:	ClN2O4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	800.556736
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	8.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809478
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-4-(3-methoxydecoxy)-5-octadec-11-enoxy-6-prop-1-enoxyoxan-3-yl] bis(prop-2-enyl) phosphate

Drug info:

PubChemData

Smile

C1CC2=[N+](C1C(=O)OCC3=CC=CC=C3)C(=O)C(=O)N=C2Cl

DOS

IR

Vibrations