Geometry & MOs

Info

ID:	393701
PubChem CID:	135021494
Reduced:	SO3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	400.185857
ΔH_f, kcal/mol:	-114.27
Dipole, Da:	3.05
IP(EA), eV:	-8.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C2=C1C=CS2)O)C(=O)OC

DOS

IR

Vibrations