Geometry & MOs

Info

ID:	376898
PubChem CID:	134222930
Reduced:	Cl2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	463.13259
ΔH_f, kcal/mol:	-73.78
Dipole, Da:	2.77
IP(EA), eV:	-9.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-acetamido-3-(3-formyloxypropanoyloxy)-2-(3-formyloxypropanoyloxymethyl)propoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1C=C(C=CC1CO)C(=O)C(Cl)Cl

DOS

IR

Vibrations