Geometry & MOs

Info

ID:	402428
PubChem CID:	135055930
Reduced:	Cl2O3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	270.021435
ΔH_f, kcal/mol:	-134.03
Dipole, Da:	2.01
IP(EA), eV:	-10.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4R,5S)-3-(1-chloroethylidene)-4-(chloromethyl)-5-phenyloxolan-2-one

Drug info:

PubChemData

Smile

COC/C(=C\1/[C@H](COC1=O)CCl)/Cl

DOS

IR

Vibrations