Geometry & MOs

Info

ID:	409467
PubChem CID:	135082249
Reduced:	OS2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	234.111208
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	3.48
IP(EA), eV:	-8.6(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

CC1CC(SC(S1)C(C)(C)O)C

DOS

IR

Vibrations