Geometry & MOs

Info

ID:

225711

PubChem CID:

87225384

Reduced:

ON2H6C7 (3)

Stoich.:

AB2C6D7 (3)

Weight, g/mol:

658.205712

ΔHf, kcal/mol:

18.19

Dipole, Da:

4.75

IP(EA), eV:

 -6.98(-2.35)

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-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)acetamide

Drug info:

PubChemData

Smile

C1=C/C(=C\2/C=C(C=CC2=O)NC(=O)N)/C(=O)C(=C1)C3=CC4=C(N3)C=CC(=C(N)N)N4

DOS

IR

Vibrations