Geometry & MOs

Info

ID:

309362

PubChem CID:

126545656

Reduced:

N2O3C15H18 (2)

Stoich.:

A2B3C15D18 (2)

Weight, g/mol:

520.26857

ΔHf, kcal/mol:

-222.79

Dipole, Da:

5.93

IP(EA), eV:

 -9.49(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (7R,11E,14S)-8-oxo-14-(phenylmethoxycarbonylamino)-2,5,9-triazatricyclo[13.3.1.02,7]nonadeca-1(18),11,15(19),16-tetraene-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]2C(=O)NCC/C=C/C[C@@H](C3=CC(=CC=C3)N2C(=O)C1)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations