Geometry & MOs

Info

ID:	369298
PubChem CID:	127332295
Reduced:	N2S3O4C15H22 (1)
Stoich.:	A2B3C4D15E22 (1)
Weight, g/mol:	271.070071
ΔH_f, kcal/mol:	-126.9
Dipole, Da:	3.62
IP(EA), eV:	-8.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-methylsulfonyl-3-phenylthiomorpholine

Drug info:

PubChemData

Smile

CC1C(SCCN1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3CC3)C

DOS

IR

Vibrations