Geometry & MOs

Info

ID:	364843
PubChem CID:	127316284
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	324.111934
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	5.32
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(thian-4-ylmethyl)-6-(trifluoromethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)NCC4CCSCC4)C(=O)NC1=O

DOS

IR

Vibrations