Geometry & MOs

Info

ID:	263195
PubChem CID:	103345075
Reduced:	OS2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	289.062878
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	2.3
IP(EA), eV:	-8.74(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(CC2=CC=CC=C2)O)C

DOS

IR

Vibrations