Geometry & MOs

Info

ID:

376889

PubChem CID:

134222919

Reduced:

PN2Cl6O8C37H40 (1)

Stoich.:

AB2C6D8E37F40 (1)

Weight, g/mol:

780.278503

ΔHf, kcal/mol:

-328.25

Dipole, Da:

11.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.945633

Charge, e:

 1

Chem-info

IUPAC name:

[6-[[1-(3-carboxypropanoyloxy)-3-(3-formyloxypropanoyloxy)-2-(3-formyloxypropanoyloxymethyl)propan-2-yl]amino]-6-oxohexyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CCCCCC(=O)NC(COC(=O)CCNC(=O)C(Cl)Cl)(COC(=O)C(Cl)Cl)COC(=O)C(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations