Geometry & MOs

Info

ID:

449243

PubChem CID:

135297119

Reduced:

NO3C13H17 (2)

Stoich.:

AB3C13D17 (2)

Weight, g/mol:

442.210387

ΔHf, kcal/mol:

-196.3

Dipole, Da:

16.96

IP(EA), eV:

 -9.31(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (6S)-10-hydroxy-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-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)O)COC)OCC4(CC4)COC

DOS

IR

Vibrations