Geometry & MOs

Info

ID:

227386

PubChem CID:

87561598

Reduced:

Cl2S2N8O12C43H46 (1)

Stoich.:

A2B2C8D12E43F46 (1)

Weight, g/mol:

553.069828

ΔHf, kcal/mol:

-332.07

Dipole, Da:

11.42

IP(EA), eV:

 -9.65(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,11-heptadecafluoro-1-phenylundecan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1=NN(C(=C1)S(=O)(=O)C2=CN=C(C=C2)OC)C3=CC=CC=C3Cl)C(=O)O.CNCC1=NN(C(=C1)S(=O)(=O)C2=CN=C(C=C2)OC)C3=CC=CC=C3Cl.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations