Geometry & MOs

Info

ID:

52681

PubChem CID:

12015675

Reduced:

O2H16C17 (1)

Stoich.:

A2B16C17 (1)

Weight, g/mol:

1078.5686

ΔHf, kcal/mol:

-24.8

Dipole, Da:

2.15

IP(EA), eV:

 -9.14(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

42-(2-bromoethoxy)-5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41-pentol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H]2C=CC3=CC=CC=C3[C@H]2O

DOS

IR

Vibrations