Geometry & MOs

Info

ID:	357369
PubChem CID:	127294002
Reduced:	O3S3N4C13H18 (1)
Stoich.:	A3B3C4D13E18 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	7.4
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenyl)oxan-4-yl]-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)CCNC(=O)CC2=CN3C=CSC3=N2

DOS

IR

Vibrations