Geometry & MOs

Info

ID:

225741

PubChem CID:

87225414

Reduced:

NSO6C21H27 (1)

Stoich.:

ABC6D21E27 (1)

Weight, g/mol:

582.116897

ΔHf, kcal/mol:

-205.9

Dipole, Da:

2.08

IP(EA), eV:

 -9.35(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-diene-1-carbonyl]-(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)OCOCCOC)C=O

DOS

IR

Vibrations