Geometry & MOs

Info

ID:

51840

PubChem CID:

12014593

Reduced:

SO11C58H78 (1)

Stoich.:

AB11C58D78 (1)

Weight, g/mol:

768.460119

ΔHf, kcal/mol:

-468.82

Dipole, Da:

4.35

IP(EA), eV:

 -8.03(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8S,14S,20S)-6,12,18,24-tetramethoxy-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)C[C@@H]1C2=CC(=C(C=C2O)OC)[C@@H](C3=CC(=C(C=C3O)OC)[C@@H](C4=CC(=C(C=C4O)OC)[C@@H](C5=C(C=C(C1=C5)OC)OS(=O)(=O)C[C@@]67CC[C@H](C6(C)C)CC7=O)CC(C)C)CC(C)C)CC(C)C

DOS

IR

Vibrations