Geometry & MOs

Info

ID:	359303
PubChem CID:	127298235
Reduced:	NSO4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-151.66
Dipole, Da:	10.31
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCC=CC3

DOS

IR

Vibrations