Geometry & MOs

Info

ID:	47407
PubChem CID:	10532434
Reduced:	IC7H11 (3)
Stoich.:	AB7C11 (3)
Weight, g/mol:	665.976914
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	0.3
IP(EA), eV:	-9.27(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-8-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-9-(trifluoromethyl)-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-4-thione

Drug info:

PubChemData

Smile

CC(C)CCC1=C(C(=C(C(=C1I)CCC(C)C)I)CCC(C)C)I

DOS

IR

Vibrations