Geometry & MOs

Info

ID:	399119
PubChem CID:	135037928
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-80.38
Dipole, Da:	3.49
IP(EA), eV:	-9.53(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,6S)-6-methyl-5-oxo-3-propan-2-yloxan-2-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H](C=C)/C(=C(/C)\O)/C(=O)C

DOS

IR

Vibrations