Geometry & MOs

Info

ID:

396352

PubChem CID:

135028143

Reduced:

O2N3H23C27 (1)

Stoich.:

A2B3C23D27 (1)

Weight, g/mol:

514.228784

ΔHf, kcal/mol:

99.33

Dipole, Da:

4.99

IP(EA), eV:

 -9.22(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-tert-butyl 11-O-ethyl 12-benzyl-10-trimethylsilyl-3,12-diazatetracyclo[6.5.1.04,14.09,13]tetradeca-1,4,6,8(14),9(13),10-hexaene-3,11-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C=C/C(C2=CC=CC=C2)N3C=C(N=N3)COC4=CC=CC=C4C=O

DOS

IR

Vibrations