Geometry & MOs

Info

ID:

449188

PubChem CID:

135296665

Reduced:

F2C7H10 (1)

Stoich.:

A2B7C10 (1)

Weight, g/mol:

1044.464176

ΔHf, kcal/mol:

-90.77

Dipole, Da:

2.56

IP(EA), eV:

-9.64(-0.17)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

10-N,28-N-didodecyl-28-N-methyl-15,33-dioxo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-10,28-disulfonamide

Drug info:

PubChemData

Smile

CC/C(=C\C=C)/C(F)F

DOS

IR

Vibrations