Geometry & MOs

Info

ID:

225655

PubChem CID:

87225328

Reduced:

O2N4C17H18 (1)

Stoich.:

A2B4C17D18 (1)

Weight, g/mol:

724.148151

ΔHf, kcal/mol:

62.07

Dipole, Da:

4.29

IP(EA), eV:

 -8.46(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-methylpropanoyl]-(2-phosphonoethyl)amino]ethylphosphonic acid

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=C1)C2=N/C(=C\3/C=C(ON3)C4CC4)/N=C2)O

DOS

IR

Vibrations