Geometry & MOs

Info

ID:	204872
PubChem CID:	80024220
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	237.085721
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	2.97
IP(EA), eV:	-8.55(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]butane-1-thiol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(C)CCS

DOS

IR

Vibrations