Geometry & MOs

Info

ID:

448223

PubChem CID:

135289401

Reduced:

SO2N6H26C30 (1)

Stoich.:

AB2C6D26E30 (1)

Weight, g/mol:

482.209119

ΔHf, kcal/mol:

96.43

Dipole, Da:

12.65

IP(EA), eV:

 -8.48(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=C(S6)C(=O)C

DOS

IR

Vibrations