Geometry & MOs

Info

ID:	345841
PubChem CID:	127270141
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	342.161329
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	6.57
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations