Geometry & MOs

Info

ID:

45250

PubChem CID:

10510117

Reduced:

NO11C56H87 (1)

Stoich.:

AB11C56D87 (1)

Weight, g/mol:

950.57877

ΔHf, kcal/mol:

-551.5

Dipole, Da:

3.16

IP(EA), eV:

 -9.74(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-25,26,27,28-tetraoctoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OC(=O)C)O)OC(=O)C2=CC=CC=C2)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations