Geometry & MOs

Info

ID:	175220
PubChem CID:	75868230
Reduced:	ClSN3O3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	435.112701
ΔH_f, kcal/mol:	-56.41
Dipole, Da:	5.06
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonylamino]benzenecarboximidate

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

DOS

IR

Vibrations