Geometry & MOs

Info

ID:

230810

PubChem CID:

87572048

Reduced:

O13C55H108 (1)

Stoich.:

A13B55C108 (1)

Weight, g/mol:

315.93835

ΔHf, kcal/mol:

-775.81

Dipole, Da:

2.51

IP(EA), eV:

 -9.82(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-5,5,6,6,6-pentafluoro-3-iodohex-3-en-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCOC[C@@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C

DOS

IR

Vibrations