Geometry & MOs

Info

ID:	4221
PubChem CID:	10990
Reduced:	SC10H22 (1)
Stoich.:	AB10C22 (1)
Weight, g/mol:	174.144222
ΔH_f, kcal/mol:	-49.87
Dipole, Da:	1.81
IP(EA), eV:	-8.42(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methylbutylsulfanyl)butane

Drug info:

PubChemData

Smile

CC(C)CCSCCC(C)C

DOS

IR

Vibrations