Geometry & MOs

Info

ID:	207427
PubChem CID:	80395120
Reduced:	OSC12H22 (1)
Stoich.:	ABC12D22 (1)
Weight, g/mol:	176.123486
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	3.05
IP(EA), eV:	-8.73(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-methylbutan-2-yloxy)propane-1-thiol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OCCS)C)C

DOS

IR

Vibrations