Geometry & MOs

Info

ID:	318767
PubChem CID:	126653078
Reduced:	NS2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	160.128572
ΔH_f, kcal/mol:	34.09
Dipole, Da:	4.91
IP(EA), eV:	-7.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,4-tetramethylpentane-3-thiol

Drug info:

PubChemData

Smile

CSC(=S)C1=CC2=C3C(=C1)CCCN3CCC2

DOS

IR

Vibrations