Geometry & MOs

Info

ID:

388860

PubChem CID:

134990461

Reduced:

NO2C23H33 (1)

Stoich.:

AB2C23D33 (1)

Weight, g/mol:

464.241018

ΔHf, kcal/mol:

-100.34

Dipole, Da:

4.44

IP(EA), eV:

 -7.95(0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(1'S,2'R,7'R,9'S,11'S,12'S,15'R,16'S,18'R)-15',18'-dihydroxy-2',16'-dimethylspiro[1,3-dioxolane-2,5'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-15'-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C[C@]12CCC(=CC1=CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)N5CCCC5

DOS

IR

Vibrations