Geometry & MOs

Info

ID:

449229

PubChem CID:

135297006

Reduced:

N2O6C31H38 (1)

Stoich.:

A2B6C31D38 (1)

Weight, g/mol:

516.117807

ΔHf, kcal/mol:

-178.25

Dipole, Da:

13.33

IP(EA), eV:

 -8.8(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (6R)-10-methoxy-3,3-dimethyl-15-oxo-9-(trifluoromethylsulfonyloxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)N1CC2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)OCC)OCC4=CC=CC=C4)OCCCOC

DOS

IR

Vibrations