Geometry & MOs

Info

ID:	269547
PubChem CID:	103617923
Reduced:	SO2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	-121.76
Dipole, Da:	0.76
IP(EA), eV:	-8.89(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(pentylsulfanylmethyl)benzoate

Drug info:

PubChemData

Smile

CCCCCSC(C)C(=O)OC

DOS

IR

Vibrations