Geometry & MOs

Info

ID:	204830
PubChem CID:	80014876
Reduced:	SO2C6H14 (1)
Stoich.:	AB2C6D14 (1)
Weight, g/mol:	312.175916
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	4.33
IP(EA), eV:	-8.67(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethoxyphenoxy)methyl]-2-propylpentane-1-thiol

Drug info:

PubChemData

Smile

COCCCOCCS

DOS

IR

Vibrations