Geometry & MOs

Info

ID:

449557

PubChem CID:

135299597

Reduced:

NOH35C48 (1)

Stoich.:

ABC35D48 (1)

Weight, g/mol:

1146.082049

ΔHf, kcal/mol:

190.77

Dipole, Da:

1.97

IP(EA), eV:

 -8.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-methylphenyl)-(4-sulfophenyl)-[2-[4-[1-[2-tris(4-sulfonatophenyl)phosphaniumylethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl]phosphaniumyl]benzenesulfonate

Drug info:

PubChemData

Smile

C=C/C(=C\C=C\C1=CC=CC=C1)/N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=C6C=C(C=C7)C8=CC=CC=C8

DOS

IR

Vibrations