Geometry & MOs

Info

ID:	135637
PubChem CID:	51907472
Reduced:	FN3O5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-180.96
Dipole, Da:	6.21
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NNC(=O)C1CCN(CC1)C(=O)C2=CC=CO2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations