Geometry & MOs

Info

ID:	153794
PubChem CID:	56313105
Reduced:	SN2F3O5C21H23 (1)
Stoich.:	AB2C3D5E21F23 (1)
Weight, g/mol:	442.165032
ΔH_f, kcal/mol:	-314.93
Dipole, Da:	4.96
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations