Geometry & MOs

Info

ID:	363297
PubChem CID:	127310714
Reduced:	S2N3O3C17H31 (1)
Stoich.:	A2B3C3D17E31 (1)
Weight, g/mol:	328.182064
ΔH_f, kcal/mol:	-148.25
Dipole, Da:	6.08
IP(EA), eV:	-8.5(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CN2CCS(=O)(=O)CC2)N3CCSCC3

DOS

IR

Vibrations