Geometry & MOs

Info

ID:

228781

PubChem CID:

87565765

Reduced:

FSN3O3C26H30 (1)

Stoich.:

ABC3D3E26F30 (1)

Weight, g/mol:

716.07083

ΔHf, kcal/mol:

-75.79

Dipole, Da:

3.76

IP(EA), eV:

 -8.9(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,22-dibromo-7,18-di(hexan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

CCC(=O)CN1C=CC(=N1)/C=C\2/CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations