Geometry & MOs

Info

ID:

225702

PubChem CID:

87225375

Reduced:

O3N4C32H66 (1)

Stoich.:

A3B4C32D66 (1)

Weight, g/mol:

699.195876

ΔHf, kcal/mol:

-208.84

Dipole, Da:

2.86

IP(EA), eV:

 -9.5(0.25)

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-[2-oxo-2-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(=O)NCCC[N+](CCC)(NC(=O)CCCCCCCCCCC)[O-])N

DOS

IR

Vibrations