Geometry & MOs

Info

ID:	363302
PubChem CID:	127310719
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	367.229348
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	2.2
IP(EA), eV:	-8.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CCC2=NC3=CC=CC=C3N2)N4CCSCC4

DOS

IR

Vibrations