Geometry & MOs

Info

ID:	327833
PubChem CID:	126691132
Reduced:	SO2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	194.112922
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	4.53
IP(EA), eV:	-8.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-di(propan-2-yl)benzenethiol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)S(=O)O)C(C)C

DOS

IR

Vibrations