Geometry & MOs

Info

ID:

225738

PubChem CID:

87225411

Reduced:

SO5N6C24H24 (1)

Stoich.:

AB5C6D24E24 (1)

Weight, g/mol:

682.278484

ΔHf, kcal/mol:

-106.12

Dipole, Da:

7.32

IP(EA), eV:

 -8.53(-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-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)S(=O)(=O)N)O

DOS

IR

Vibrations