Geometry & MOs

Info

ID:	351875
PubChem CID:	127282793
Reduced:	NS2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	277.026492
ΔH_f, kcal/mol:	-106.18
Dipole, Da:	6.29
IP(EA), eV:	-8.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(5-methylthiophen-2-yl)sulfonylthiomorpholine

Drug info:

PubChemData

Smile

CC1CN(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations