Geometry & MOs

Info

ID:	70405
PubChem CID:	48413301
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	405.115855
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	2.63
IP(EA), eV:	-8.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-4-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)C#N

DOS

IR

Vibrations