Geometry & MOs

Info

ID:

449246

PubChem CID:

135297139

Reduced:

ClN2O5C23H27 (1)

Stoich.:

AB2C5D23E27 (1)

Weight, g/mol:

488.231122

ΔHf, kcal/mol:

-163.04

Dipole, Da:

12.21

IP(EA), eV:

 -9.54(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (6R)-10-(methoxymethyl)-3,3-dimethyl-15-oxo-9-phenylmethoxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)N1CC2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)O)Cl)OCC4(COC4)C

DOS

IR

Vibrations