Geometry & MOs

Info

ID:	81261
PubChem CID:	49854521
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	6.66
IP(EA), eV:	-8.54(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]thiomorpholine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC2CC2(C1)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations