Geometry & MOs

Info

ID:

447894

PubChem CID:

135286627

Reduced:

FSO3N9H32C33 (1)

Stoich.:

ABC3D9E32F33 (1)

Weight, g/mol:

489.202556

ΔHf, kcal/mol:

29.01

Dipole, Da:

4.74

IP(EA), eV:

 -8.88(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)/C=C23

DOS

IR

Vibrations