Geometry & MOs

Info

ID:

225657

PubChem CID:

87225330

Reduced:

SN6O8C29H30 (1)

Stoich.:

AB6C8D29E30 (1)

Weight, g/mol:

574.10357

ΔHf, kcal/mol:

-247.07

Dipole, Da:

9.64

IP(EA), eV:

 -8.94(-1.94)

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-diene-1-carbonyl]amino]ethylphosphonic acid

Drug info:

PubChemData

Smile

CC(C)(C1=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)N5CC(CC5C(=O)O)O

DOS

IR

Vibrations