Geometry & MOs

Info

ID:	371006
PubChem CID:	127341794
Reduced:	NS2O3C9H19 (1)
Stoich.:	AB2C3D9E19 (1)
Weight, g/mol:	278.11227
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	4.01
IP(EA), eV:	-8.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylsulfonyl)-3-methylthiomorpholine

Drug info:

PubChemData

Smile

CC1CSCCN1S(=O)(=O)C(C)COC

DOS

IR

Vibrations