Geometry & MOs

Info

ID:

44772

PubChem CID:

10505870

Reduced:

O3C9H14 (3)

Stoich.:

A3B9C14 (3)

Weight, g/mol:

510.294116

ΔHf, kcal/mol:

-422.4

Dipole, Da:

3.34

IP(EA), eV:

 -9.05(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,5S,9S,10S,11S,12R,14R,17R)-3-(dimethylamino)-14-ethenyl-10-hydroxy-8,8,12,14,17-pentamethyl-16-oxo-2,4,13-trioxatetracyclo[7.7.1.01,12.05,17]heptadecan-11-yl] N-(2-hydroxyethyl)carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@@H]3[C@@H]([C@H]([C@@H]([C@@H]([C@@]3(C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C)[C@H](O2)[C@@]4(CC[C@]1(O4)OC)C

DOS

IR

Vibrations