Geometry & MOs

Info

ID:	295816
PubChem CID:	117544869
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	205.092521
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	2.55
IP(EA), eV:	-8.69(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-indol-3-yl)-2-methylpropane-2-thiol

Drug info:

PubChemData

Smile

CC(C)(CS)C1=CC2=C(C=C1)OCCCO2

DOS

IR

Vibrations