Geometry & MOs

Info

ID:	70402
PubChem CID:	48413295
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-116.61
Dipole, Da:	3.32
IP(EA), eV:	-8.41(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N(CC2=C(C=CC(=C2)OC)OC)S(=O)(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations