Geometry & MOs

Info

ID:	388471
PubChem CID:	134989245
Reduced:	F2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	281.97529
ΔH_f, kcal/mol:	-241.99
Dipole, Da:	2.23
IP(EA), eV:	-10.59(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,7R,7aR)-7-iodo-3-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations