Geometry & MOs

Info

ID:

51843

PubChem CID:

12014597

Reduced:

OC8H12 (8)

Stoich.:

AB8C12 (8)

Weight, g/mol:

992.71052

ΔHf, kcal/mol:

-306.47

Dipole, Da:

4.92

IP(EA), eV:

 -7.74(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,8R,14R,20R)-6,12,18,24-tetrakis[(2S)-2-methylbutoxy]-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-4,10,16,22-tetrol

Drug info:

PubChemData

Smile

CC[C@H](C)COC1=C2C=C([C@@H](C3=C(C=C(C(=C3)[C@@H](C4=C(C=C(C(=C4)[C@@H](C5=C(C=C(C(=C5)[C@@H]2CC(C)C)O)OC[C@@H](C)CC)CC(C)C)O)OC[C@@H](C)CC)CC(C)C)O)OC[C@@H](C)CC)CC(C)C)C(=C1)O

DOS

IR

Vibrations