Geometry & MOs

Info

ID:	143110
PubChem CID:	53148349
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	404.10062
ΔH_f, kcal/mol:	-70.95
Dipole, Da:	4.26
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-N-[[2-(4-methoxyphenyl)pyridin-3-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=CC=N2)CNS(=O)(=O)C3=CC=CC(=C3)OC

DOS

IR

Vibrations