Geometry & MOs

Info

ID:	363404
PubChem CID:	127310942
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	395.260649
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	7.58
IP(EA), eV:	-8.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CNC2=CC=C(C=C2)C#N)N3CCSCC3

DOS

IR

Vibrations