Geometry & MOs

Info

ID:

225734

PubChem CID:

87225407

Reduced:

SN5O5H25C29 (1)

Stoich.:

AB5C5D25E29 (1)

Weight, g/mol:

658.205712

ΔHf, kcal/mol:

-86.48

Dipole, Da:

6.27

IP(EA), eV:

 -8.41(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]-N-methyl-N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)NS(=O)(=O)C2=C/C(=C/3\NC4=C(N3)C=C(C=C4)C(=N)N)/C(=O)C(=C2)C5=CC=CC=C5O

DOS

IR

Vibrations