Geometry & MOs

Info

ID:	344882
PubChem CID:	127268642
Reduced:	NS3O4C14H17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	237.085721
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	6.37
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropylsulfonyl)-1,4-thiazepane

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1S(=O)(=O)NCC2=CSC3=CC=CC=C32

DOS

IR

Vibrations