Geometry & MOs

Info

ID:

47638

PubChem CID:

10534554

Reduced:

N3O23C81H131 (1)

Stoich.:

A3B23C81D131 (1)

Weight, g/mol:

1516.230327

ΔHf, kcal/mol:

-1079.07

Dipole, Da:

7.17

IP(EA), eV:

 -9.06(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8,11,16,17,22,25-hexadodecoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,13,16,19,21(30),22,24,26,28-pentadecaene-5,28-diol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2C/C=C/C=C/CC/C=C/C=C/C(=O)NC(C(=O)OC(C(C(C/C=C(/C(C(/C=C(/C(C(C(C[C@H](C1)O2)O)C)O)\C)C)O)\C)OC(=O)CC(C(=O)O)O)C)C(C(C)O)NC(=O)C(C)C(CCC(C)C(/C(=C/C(C)C(C(CC(C)C)NC(=O)/C=C/C(C)(C)C(=O)C(C)C(C(C)C)O)O)/C)O)O)C(C(=O)O)O

DOS

IR

Vibrations