Geometry & MOs

Info

ID:

304404

PubChem CID:

124582266

Reduced:

ClO2N3C21H24 (1)

Stoich.:

AB2C3D21E24 (1)

Weight, g/mol:

388.26136

ΔHf, kcal/mol:

-44.57

Dipole, Da:

4.81

IP(EA), eV:

 -8.53(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,2'S,4R,5R,7S,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',5,7-triol

Drug info:

PubChemData

Smile

CC1=CC2=CC(=CC(=C2O1)Cl)NC(=O)C3=NNC4=C3C[C@H](CC4)C(C)(C)C

DOS

IR

Vibrations