Geometry & MOs

Info

ID:	388575
PubChem CID:	134989537
Reduced:	ClO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	354.06919
ΔH_f, kcal/mol:	-160.14
Dipole, Da:	2.83
IP(EA), eV:	-9.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-5-[(1R)-1-iodo-3-methylbutyl]-3-(2-methylpropoxy)oxolan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=CC=C(C=C1)Cl)/COC(=O)C

DOS

IR

Vibrations