Geometry & MOs

Info

ID:

47401

PubChem CID:

10532396

Reduced:

ClN3O6C37H44 (1)

Stoich.:

AB3C6D37E44 (1)

Weight, g/mol:

662.016807

ΔHf, kcal/mol:

-169.24

Dipole, Da:

12.98

IP(EA), eV:

 -9.07(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[benzyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]-N-hydroxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CC[NH+](C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.[Cl-]

DOS

IR

Vibrations