Geometry & MOs

Info

ID:	70395
PubChem CID:	48413287
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-115.33
Dipole, Da:	5.12
IP(EA), eV:	-8.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)OC)OC)C3=CN(N=C3)C)F

DOS

IR

Vibrations