Geometry & MOs

Info

ID:	403494
PubChem CID:	135060600
Reduced:	OPdH6C7 (1)
Stoich.:	ABC6D7 (1)
Weight, g/mol:	174.071451
ΔH_f, kcal/mol:	49.84
Dipole, Da:	3.81
IP(EA), eV:	-7.91(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (E)-4-hydroxy-4-methylpent-2-enethioate

Drug info:

PubChemData

Smile

[CH2-]OC1=CC=CC=[C-]1.[Pd+2]

DOS

IR

Vibrations