Geometry & MOs

Info

ID:	45767
PubChem CID:	10517427
Reduced:	IO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	288.157288
ΔH_f, kcal/mol:	-29.16
Dipole, Da:	2.7
IP(EA), eV:	-9.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (3S)-3-[(1R)-1-hydroxyethyl]oxirane-2,2-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=CC=CC=C1)\I

DOS

IR

Vibrations