Geometry & MOs

Info

ID:

225723

PubChem CID:

87225396

Reduced:

P2N7O10C30H37 (1)

Stoich.:

A2B7C10D30E37 (1)

Weight, g/mol:

457.097538

ΔHf, kcal/mol:

-466.82

Dipole, Da:

7.36

IP(EA), eV:

 -8.71(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[3-methyl-6-oxo-5-(3-sulfamoylphenyl)cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboximidamide;hydrochloride

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)CNC(=O)N)O)C(=O)N(CCP(=O)(O)O)CCP(=O)(O)O

DOS

IR

Vibrations