Geometry & MOs

Info

ID:	345831
PubChem CID:	127270131
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	3.92
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propanoyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)NC3CCC(CC3)C(=O)N4CCSCC4

DOS

IR

Vibrations