Geometry & MOs

Info

ID:	363306
PubChem CID:	127310723
Reduced:	SO2N3C21H37 (1)
Stoich.:	AB2C3D21E37 (1)
Weight, g/mol:	395.260649
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	3.85
IP(EA), eV:	-8.56(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butanoyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCCC1C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations