Geometry & MOs

Info

ID:

225698

PubChem CID:

87225371

Reduced:

O2N5H19C21 (1)

Stoich.:

A2B5C19D21 (1)

Weight, g/mol:

537.143053

ΔHf, kcal/mol:

21.52

Dipole, Da:

8.14

IP(EA), eV:

 -8.31(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-N-carbamoyl-5-(2-hydroxy-5-sulfamoylphenyl)-N,6-dimethyl-4-oxocyclohexa-1,5-diene-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations