Geometry & MOs

Info

ID:	70406
PubChem CID:	48413302
Reduced:	FSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	405.115855
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	6.36
IP(EA), eV:	-8.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-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=C(C=C3)F

DOS

IR

Vibrations