Geometry & MOs

Info

ID:	204901
PubChem CID:	80027692
Reduced:	ClOSC17H27 (1)
Stoich.:	ABCD17E27 (1)
Weight, g/mol:	264.014242
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	4.33
IP(EA), eV:	-8.69(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichlorophenoxy)-2,2-dimethylpropane-1-thiol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OCC(CS)C(C)(C)C)C(C)C)Cl

DOS

IR

Vibrations