Geometry & MOs

Info

ID:

225684

PubChem CID:

87225357

Reduced:

SO6N7H23C24 (1)

Stoich.:

AB6C7D23E24 (1)

Weight, g/mol:

537.143053

ΔHf, kcal/mol:

-147.92

Dipole, Da:

11.8

IP(EA), eV:

 -8.51(-1.62)

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-dien-1-yl]-N-carbamoyl-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)NCC(=O)N)/N2

DOS

IR

Vibrations