Geometry & MOs

Info

ID:

447969

PubChem CID:

135287238

Reduced:

FSO3N8H25C30 (1)

Stoich.:

ABC3D8E25F30 (1)

Weight, g/mol:

494.163729

ΔHf, kcal/mol:

47.98

Dipole, Da:

7.47

IP(EA), eV:

 -8.37(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-(ethylaminomethyl)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CC7)/C=C23)F)N

DOS

IR

Vibrations