Geometry & MOs

Info

ID:

84170

PubChem CID:

49864729

Reduced:

ClN4O4C19H27 (1)

Stoich.:

AB4C4D19E27 (1)

Weight, g/mol:

460.318875

ΔHf, kcal/mol:

-171.27

Dipole, Da:

5.65

IP(EA), eV:

 -8.8(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3'S,4S,6R,7R,8R,9S,12S,13S,16R,18S)-7,16-dihydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-11-one

Drug info:

PubChemData

Smile

CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)O)N1C2=C(C=C(C=C2)Cl)N=C1N

DOS

IR

Vibrations