Geometry & MOs

Info

ID:

127901

PubChem CID:

51022149

Reduced:

NO2C16H25 (1)

Stoich.:

AB2C16D25 (1)

Weight, g/mol:

352.182395

ΔHf, kcal/mol:

-106.53

Dipole, Da:

3.0

IP(EA), eV:

 -9.64(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5S,8R,9R,10S,11S,12R)-13,14-dideuterio-6-(dideuteriomethylidene)-5,12-dihydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Drug info:

PubChemData

Smile

CCC/C=C(\C)/C(=O)N1[C@@H]2CC[C@@](C1=O)(C2(C)C)C

DOS

IR

Vibrations