Geometry & MOs

Info

ID:	369254
PubChem CID:	127331626
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	241.07482
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	2.78
IP(EA), eV:	-8.52(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)CN2CCCCC2=O)C

DOS

IR

Vibrations