Geometry & MOs

Info

ID:	70388
PubChem CID:	48413278
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	393.147075
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	4.29
IP(EA), eV:	-8.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,5-dimethoxyphenyl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]-methylamino]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)N(CC2=C(C=CC(=C2)OC)OC)C3=CN(N=C3)C

DOS

IR

Vibrations