Geometry & MOs

Info

ID:

309933

PubChem CID:

126568184

Reduced:

ClN5O8C30H32 (1)

Stoich.:

AB5C8D30E32 (1)

Weight, g/mol:

437.142265

ΔHf, kcal/mol:

-280.84

Dipole, Da:

4.81

IP(EA), eV:

 -9.14(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-5-[(3Z)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1C[C@]2(CN(C1)C(=O)[C@H](CC(=O)N3CC(C3)(C4CC4)O)NC(=O)C5=CC=C(C=C5)NC(=O)O)C6=C(C=CC(=C6)Cl)NC(=O)O2

DOS

IR

Vibrations