Geometry & MOs

Info

ID:

308797

PubChem CID:

126522718

Reduced:

BrSO4N9C23H32 (1)

Stoich.:

ABC4D9E23F32 (1)

Weight, g/mol:

440.176087

ΔHf, kcal/mol:

-135.12

Dipole, Da:

3.89

IP(EA), eV:

 -9.0(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CCCCCN1C2=C(N=C1SCCCN3C4=C(N=C3Br)N(C(=O)N(C4=O)CCCN)C)N(C(=O)NC2=O)C

DOS

IR

Vibrations