Geometry & MOs

Info

ID:

391754

PubChem CID:

135009211

Reduced:

O2C9H13 (2)

Stoich.:

A2B9C13 (2)

Weight, g/mol:

656.198759

ΔHf, kcal/mol:

-188.03

Dipole, Da:

5.29

IP(EA), eV:

-9.21(0.0)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

diethyl (37S)-heptadecacyclo[27.11.1.02,28.05,27.06,25.09,24.010,22.013,21.014,19.017,37.018,35.020,33.023,32.026,31.030,34.036,41.037,39]hentetraconta-2(28),3,5(27),6(25),7,9(24),10,18,20,22,26(31),29(41),30(34),32,35-pentadecaene-38,38-dicarboxylate

Drug info:

PubChemData

Smile

CCC[C@@H]([C@@H](/C=C/C(=O)OCC)C1=C(C=C(C=C1O)C)C)O

DOS

IR

Vibrations