Geometry & MOs

Info

ID:	70407
PubChem CID:	48413303
Reduced:	FSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	3.98
IP(EA), eV:	-8.45(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethyl-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)F

DOS

IR

Vibrations