Geometry & MOs

Info

ID:	274236
PubChem CID:	103807930
Reduced:	OSN4C9H16 (1)
Stoich.:	ABC4D9E16 (1)
Weight, g/mol:	304.085719
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	6.93
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C)CNC

DOS

IR

Vibrations