Geometry & MOs

Info

ID:	13024
PubChem CID:	220028
Reduced:	SO4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-163.03
Dipole, Da:	4.37
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-phenylsulfanylhexanedioate

Drug info:

PubChemData

Smile

COC(=O)CCCC(C(=O)OC)SC1=CC=CC=C1

DOS

IR

Vibrations