Geometry & MOs

Info

ID:

44980

PubChem CID:

10506973

Reduced:

N5O12C21H41 (1)

Stoich.:

A5B12C21D41 (1)

Weight, g/mol:

555.411539

ΔHf, kcal/mol:

-551.94

Dipole, Da:

7.17

IP(EA), eV:

 -9.52(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-acetyloxy-3-(1,2-ditritiooctadecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)N

DOS

IR

Vibrations