Geometry & MOs

Info

ID:

222659

PubChem CID:

85307820

Reduced:

NO15C21H36 (4)

Stoich.:

AB15C21D36 (4)

Weight, g/mol:

2425.939106

ΔHf, kcal/mol:

-2736.38

Dipole, Da:

20.35

IP(EA), eV:

 -9.8(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-butanoyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl] bis[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)phenyl] phosphite

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)OCC(C(C(C(CN(C)CC4C(C(C(C(O4)OC5C(OC(C(C5O)O)OCC6C7C(C8C(O6)OC(O8)(C)C)OC(O7)(C)C)CN(C)CC(C(C(C(COC9C(C(C(C(O9)CO)OC1C(C(C(C(O1)CO)O)OC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CO)CO)O)O

DOS

IR

Vibrations