Geometry & MOs

Info

ID:	363295
PubChem CID:	127310712
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	339.198048
ΔH_f, kcal/mol:	-106.21
Dipole, Da:	7.94
IP(EA), eV:	-8.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=CC3=C(CCCC3)NC2=O)N4CCSCC4

DOS

IR

Vibrations