Geometry & MOs

Info

ID:	369260
PubChem CID:	127331638
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	229.150036
ΔH_f, kcal/mol:	-103.84
Dipole, Da:	4.43
IP(EA), eV:	-8.63(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylthiomorpholin-4-yl)-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=C3C(=CC=C2)OCCO3)C

DOS

IR

Vibrations