Geometry & MOs

Info

ID:	70382
PubChem CID:	48413270
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-113.35
Dipole, Da:	9.11
IP(EA), eV:	-8.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)-2-pyridin-2-ylethanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations