Geometry & MOs

Info

ID:

227690

PubChem CID:

87562238

Reduced:

N5O5F6H19C27 (1)

Stoich.:

A5B5C6D19E27 (1)

Weight, g/mol:

379.14331

ΔHf, kcal/mol:

-361.54

Dipole, Da:

17.83

IP(EA), eV:

 -8.39(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-amino-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1H-indazol-6-yl]methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1/C=C\3/C4=C(C=CC(=C4)[NH3+])NC3=O)NN=C2/C=C/C5=CC=[NH+]C=C5.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations