Geometry & MOs

Info

ID:	231311
PubChem CID:	87573450
Reduced:	BrNO4C11H20 (1)
Stoich.:	ABC4D11E20 (1)
Weight, g/mol:	278.097436
ΔH_f, kcal/mol:	-209.88
Dipole, Da:	7.45
IP(EA), eV:	-9.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[dimethyl(phenyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

Drug info:

PubChemData

Smile

C[C@H](CN(CC(=O)O)CC(=O)OC(C)(C)C)Br

DOS

IR

Vibrations