Geometry & MOs

Info

ID:

17461

PubChem CID:

499890

Reduced:

O4C23H38 (1)

Stoich.:

A4B23C38 (1)

Weight, g/mol:

378.27701

ΔHf, kcal/mol:

-234.17

Dipole, Da:

3.66

IP(EA), eV:

 -9.9(1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,10R,11R,14S,16R,17R)-17-(hydroxymethyl)-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]3[C@]([C@@H]1CC[C@@H]4C25CC[C@@]([C@H](C4)C5)(CO)O)(COC(O3)(C)C)C

DOS

IR

Vibrations