Geometry & MOs

Info

ID:	137029
PubChem CID:	52141666
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	201.118735
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	11.37
IP(EA), eV:	-9.12(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-thiomorpholin-4-ylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=O)C=C(N1)CSCCOC

DOS

IR

Vibrations