Geometry & MOs

Info

ID:

225737

PubChem CID:

87225410

Reduced:

SN6O7H22C24 (1)

Stoich.:

AB6C7D22E24 (1)

Weight, g/mol:

508.152889

ΔHf, kcal/mol:

-190.88

Dipole, Da:

7.74

IP(EA), eV:

 -8.75(-1.83)

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,N-dimethylacetamide

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)O)/N2

DOS

IR

Vibrations