Geometry & MOs

Info

ID:

14821

PubChem CID:

421673

Reduced:

N2O4H14C31F40 (1)

Stoich.:

A2B4C14D31E40 (1)

Weight, g/mol:

1238.031483

ΔHf, kcal/mol:

-2120.7

Dipole, Da:

3.42

IP(EA), eV:

 -9.19(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxycarbonylamino)-4-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)OCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations