Geometry & MOs

Info

ID:	70750
PubChem CID:	48413814
Reduced:	SF3O3N4C15H17 (1)
Stoich.:	AB3C3D4E15F17 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-223.56
Dipole, Da:	0.99
IP(EA), eV:	-9.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)[C@H](C)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations