Geometry & MOs

Info

ID:

17068

PubChem CID:

483015

Reduced:

P2S2N6O15H30C35 (1)

Stoich.:

A2B2C6D15E30F35 (1)

Weight, g/mol:

900.068581

ΔHf, kcal/mol:

-534.8

Dipole, Da:

11.11

IP(EA), eV:

 -8.88(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-7-[[5-hydroxy-6-[[4-(phosphonomethyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[[4-(phosphonomethyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CP(=O)(O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)CP(=O)(O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations