Geometry & MOs

Info

ID:

8958

PubChem CID:

84025

Reduced:

NO7C19H33 (2)

Stoich.:

AB7C19D33 (2)

Weight, g/mol:

774.451405

ΔHf, kcal/mol:

-653.27

Dipole, Da:

4.57

IP(EA), eV:

 -9.05(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-12-hydroxyimino-6-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,16-dione

Drug info:

PubChemData

Smile

CCC1C2(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C

DOS

IR

Vibrations