Geometry & MOs

Info

ID:

51844

PubChem CID:

12014598

Reduced:

OC8H12 (8)

Stoich.:

AB8C12 (8)

Weight, g/mol:

1385.148722

ΔHf, kcal/mol:

-397.91

Dipole, Da:

2.57

IP(EA), eV:

 -8.06(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8S,14S,20S)-6,12,18,24-tetrakis[(2S)-2-methylbutoxy]-2,8,14,20-tetra(undecyl)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