Geometry & MOs

Info

ID:

11994

PubChem CID:

125731

Reduced:

PN3O10C49H89 (1)

Stoich.:

AB3C10D49E89 (1)

Weight, g/mol:

910.628558

ΔHf, kcal/mol:

-557.1

Dipole, Da:

5.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763945

Charge, e:

 1

Chem-info

IUPAC name:

2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-dimethyl-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)CC1=C(C(=O)N2N1C(=C(C2=O)C)C)C)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations