Geometry & MOs

Info

ID:

328628

PubChem CID:

126726102

Reduced:

N3O5H21C27 (1)

Stoich.:

A3B5C21D27 (1)

Weight, g/mol:

702.320606

ΔHf, kcal/mol:

-60.8

Dipole, Da:

5.5

IP(EA), eV:

 -8.85(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]pyridin-2-yl]-4-formyloxypyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC)/C=C/C2=CC(=NC=C2)C3=NC(=CC(=C3)OC=O)C4=NC=CC(=C4)OC=O

DOS

IR

Vibrations