Geometry & MOs

Info

ID:

219920

PubChem CID:

85165045

Reduced:

O6C39H52 (1)

Stoich.:

A6B39C52 (1)

Weight, g/mol:

616.17017

ΔHf, kcal/mol:

-229.14

Dipole, Da:

0.54

IP(EA), eV:

 -9.37(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[3-[(1-carboxy-3-methylbutyl)amino]-3-oxo-2-[(4-phenylphenyl)methyl]propyl]-hydroxyphosphoryl]-2-phenylethyl]azanium;bromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations