Geometry & MOs

Info

ID:

127725

PubChem CID:

51012813

Reduced:

NO3C8H10 (2)

Stoich.:

AB3C8D10 (2)

Weight, g/mol:

756.299321

ΔHf, kcal/mol:

-122.1

Dipole, Da:

2.91

IP(EA), eV:

 -9.39(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,3S,4R,5R,7S,8S,9R,10R,11R,14S,16S)-1,8,11,16-tetraacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-2-(3-oxobutanoyloxy)-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)[C@@H]([C@@]3(C(=O)N(C[C@H]2N3C)C)O)OC)OC

DOS

IR

Vibrations