Geometry & MOs

Info

ID:

309794

PubChem CID:

126559020

Reduced:

SN4O6C24H30 (1)

Stoich.:

AB4C6D24E30 (1)

Weight, g/mol:

797.319986

ΔHf, kcal/mol:

-164.69

Dipole, Da:

8.7

IP(EA), eV:

 -8.22(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-7-[6-[(2E)-2-[5-(2,3-dimethylimidazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]benzimidazol-4-yl]pyridin-2-yl]-3-(4-pyridin-2-ylbenzimidazol-2-ylidene)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C/S(=O)(=O)CC2=CC(=C(N=C2)OC)N/C=C\C(=O)N3CCNCC3)OC

DOS

IR

Vibrations