Geometry & MOs

Info

ID:

51358

PubChem CID:

12014012

Reduced:

NO3C44H57 (1)

Stoich.:

AB3C44D57 (1)

Weight, g/mol:

1248.908492

ΔHf, kcal/mol:

-125.3

Dipole, Da:

6.06

IP(EA), eV:

 -9.14(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[27-benzoyloxy-5,11,17,23-tetratert-butyl-26,28-di(tetradecoxy)-25-pentacyclo[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-dodecaenyl] benzoate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@H]([C@@H](C1)C(C)(C)C2=CC=CC=C2)OC(=O)/C=C\C3=C(C4=CC=CC=C4C=C3)C(=O)N(C5CCCCC5)C6CCCCC6

DOS

IR

Vibrations