Geometry & MOs

Info

ID:

449215

PubChem CID:

135296895

Reduced:

N2O5C26H30 (1)

Stoich.:

A2B5C26D30 (1)

Weight, g/mol:

474.155764

ΔHf, kcal/mol:

-137.78

Dipole, Da:

16.33

IP(EA), eV:

 -9.34(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-10-chloro-3,3-dimethyl-9-[3-(oxetan-3-yloxy)propoxy]-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC[C@H]2N1N3C=C(C(=O)C=C3C4=C2C=C(C(=C4)COC)C#CC(C)(C)OC)C(=O)O)C

DOS

IR

Vibrations