Geometry & MOs

Info

ID:	371004
PubChem CID:	127341789
Reduced:	O2S2N3C9H15 (1)
Stoich.:	A2B2C3D9E15 (1)
Weight, g/mol:	251.101371
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	6.33
IP(EA), eV:	-8.42(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-methylbutylsulfonyl)thiomorpholine

Drug info:

PubChemData

Smile

CC1CSCCN1S(=O)(=O)C2=CN(N=C2)C

DOS

IR

Vibrations