Geometry & MOs

Info

ID:

225685

PubChem CID:

87225358

Reduced:

SO6N7H23C24 (1)

Stoich.:

AB6C7D23E24 (1)

Weight, g/mol:

554.158368

ΔHf, kcal/mol:

-149.63

Dipole, Da:

9.02

IP(EA), eV:

 -8.75(-1.84)

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-(1,3-dihydroxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(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)C(=O)N

DOS

IR

Vibrations