Geometry & MOs

Info

ID:	70403
PubChem CID:	48413296
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-61.11
Dipole, Da:	3.97
IP(EA), eV:	-8.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-4-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)C3=CC=CC=C3

DOS

IR

Vibrations