Geometry & MOs

Info

ID:

433736

PubChem CID:

135173876

Reduced:

S2F3O5N11C58H68 (1)

Stoich.:

A2B3C5D11E58F68 (1)

Weight, g/mol:

481.961086

ΔHf, kcal/mol:

-210.33

Dipole, Da:

6.92

IP(EA), eV:

 -7.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2,2-pentafluoroethoxy)-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butane

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CCCN3C(=O)C(C(C)(C)C)NC(=O)CN4CCN(CC4)CC5CCN(CC5)C6=CC=C(C=C6)C7=CC8=C(NC=C8C(=O)C9=C(C=CC(=C9F)NS(=O)N1CCC(C1)F)F)N=C7

DOS

IR

Vibrations