Geometry & MOs

Info

ID:

225683

PubChem CID:

87225356

Reduced:

SN3O3H10C11 (2)

Stoich.:

AB3C3D10E11 (2)

Weight, g/mol:

537.143053

ΔHf, kcal/mol:

-141.77

Dipole, Da:

10.79

IP(EA), eV:

 -8.96(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations