Geometry & MOs

Info

ID:	20960
PubChem CID:	586400
Reduced:	SC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	152.065972
ΔH_f, kcal/mol:	4.6
Dipole, Da:	2.16
IP(EA), eV:	-8.63(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-ylbenzenethiol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations