Geometry & MOs

Info

ID:	145726
PubChem CID:	53582638
Reduced:	SF2N2O2C14H14 (1)
Stoich.:	AB2C2D2E14F14 (1)
Weight, g/mol:	290.143056
ΔH_f, kcal/mol:	-156.02
Dipole, Da:	2.81
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-3-(4-fluorophenyl)but-2-enoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC12C(=O)N(C(=O)N2)CC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations