Geometry & MOs

Info

ID:	10001
PubChem CID:	96082
Reduced:	SC12H26 (1)
Stoich.:	AB12C26 (1)
Weight, g/mol:	202.175522
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	1.99
IP(EA), eV:	-8.43(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butylsulfanyloctane

Drug info:

PubChemData

Smile

CCCCCCCCSC(C)(C)C

DOS

IR

Vibrations