Geometry & MOs

Info

ID:

219261

PubChem CID:

85098257

Reduced:

O8N9C30H41 (1)

Stoich.:

A8B9C30D41 (1)

Weight, g/mol:

658.393138

ΔHf, kcal/mol:

-320.46

Dipole, Da:

12.08

IP(EA), eV:

 -9.1(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[2-hexadecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C1CCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC1)CC(=O)O)CCCN=C(N)N)CC2=CN(C3=CC=CC=C32)C=O

DOS

IR

Vibrations