Geometry & MOs

Info

ID:	388595
PubChem CID:	134989578
Reduced:	FOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	294.01168
ΔH_f, kcal/mol:	-226.46
Dipole, Da:	4.22
IP(EA), eV:	-10.48(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5S)-3-[(2S)-but-3-en-2-yl]-5-(iodomethyl)-4-methyloxolan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCCCC1(F)F)C

DOS

IR

Vibrations