Geometry & MOs

Info

ID:

151038

PubChem CID:

53790735

Reduced:

ON5C27H35 (1)

Stoich.:

AB5C27D35 (1)

Weight, g/mol:

1002.345967

ΔHf, kcal/mol:

16.72

Dipole, Da:

1.97

IP(EA), eV:

 -8.36(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[(6,7,8,14,15,16,17,23,24,25,26,32,33,34,38-pentadecafluoro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)sulfanyl]benzoate

Drug info:

PubChemData

Smile

CC(CN1CCNC[C@H]1C2=C3C=CNC3=CC=C2)N(C4=CC=CC=N4)C(=O)C5CCCCC5

DOS

IR

Vibrations