Geometry & MOs

Info

ID:	231703
PubChem CID:	87574480
Reduced:	Cl2O9C20H20 (1)
Stoich.:	A2B9C20D20 (1)
Weight, g/mol:	342.222636
ΔH_f, kcal/mol:	-383.56
Dipole, Da:	6.68
IP(EA), eV:	-11.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-5-oxo-5-tritert-butylsilyloxypent-2-enoic acid

Drug info:

PubChemData

Smile

C1C2CC(C1C(C2C(=O)OC(=O)C3C4CC(C3C(=O)O)C(C4)C(=O)Cl)C(=O)O)C(=O)Cl

DOS

IR

Vibrations