Geometry & MOs

Info

ID:	153836
PubChem CID:	56313156
Reduced:	FSN3O4H24C25 (1)
Stoich.:	ABC3D4E24F25 (1)
Weight, g/mol:	474.235242
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	8.2
IP(EA), eV:	-8.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4F

DOS

IR

Vibrations