Geometry & MOs

Info

ID:	300056
PubChem CID:	118111073
Reduced:	FN2S2O6C20H27 (1)
Stoich.:	AB2C2D6E20F27 (1)
Weight, g/mol:	564.101192
ΔH_f, kcal/mol:	-251.05
Dipole, Da:	7.38
IP(EA), eV:	-9.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]methoxy]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)COC2=CC(=C(C=C2C3CC3)C(=O)NS(=O)(=O)C4CC4)F

DOS

IR

Vibrations