Geometry & MOs

Info

ID:	245568
PubChem CID:	99453902
Reduced:	FON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	467.142739
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	6.86
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)sulfonyl-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CCC2=C(N(N=C2C)CC(C)C)C)C3=CC=CC=C3F

DOS

IR

Vibrations