Geometry & MOs

Info

ID:

47477

PubChem CID:

10533158

Reduced:

FN2O6C47H53 (1)

Stoich.:

AB2C6D47E53 (1)

Weight, g/mol:

760.543061

ΔHf, kcal/mol:

-258.09

Dipole, Da:

9.27

IP(EA), eV:

 -8.43(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,13,19,27-tetratert-butyl-30,32-diethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene-29,31-diol

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5OCC6=CC=CC=C6

DOS

IR

Vibrations