Geometry & MOs

Info

ID:	150558
PubChem CID:	53790251
Reduced:	SO3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	282.147593
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	3.5
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(pentylsulfanyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCC=CC(=O)O)C2=CSC=C2

DOS

IR

Vibrations