Geometry & MOs

Info

ID:	225724
PubChem CID:	87225397
Reduced:	ClSO3N5H20C21 (1)
Stoich.:	ABC3D5E20F21 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	-48.52
Dipole, Da:	9.99
IP(EA), eV:	-8.4(-1.41)
Spin(S_z, 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

Drug info:

PubChemData

Smile

CC1=C/C(=C/2\NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=CC(=CC=C4)S(=O)(=O)N.Cl

DOS

IR

Vibrations