Geometry & MOs

Info

ID:

314701

PubChem CID:

126622769

Reduced:

SCl2N3F6O15C56H69 (1)

Stoich.:

AB2C3D6E15F56G69 (1)

Weight, g/mol:

771.577806

ΔHf, kcal/mol:

-415.93

Dipole, Da:

6.04

IP(EA), eV:

 -8.54(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-dimethylazaniumyl]ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1CN(CCC1N(C2=CC=CC=C2)C3=C4C=C(C=C(C4=NC=C3)OOOOOOOOOOCCCCCCCCCCCCCCCCCCCCO)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations