Geometry & MOs

Info

ID:

432873

PubChem CID:

135173010

Reduced:

SF2O3N9H27C33 (1)

Stoich.:

AB2C3D9E27F33 (1)

Weight, g/mol:

538.2241

ΔHf, kcal/mol:

27.03

Dipole, Da:

11.73

IP(EA), eV:

 -8.92(-2.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-(3-fluoro-5-methoxyphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(C(=NC=C5NN4)C6=CC(=CN=C6)NC(CC7=CC=CC=C7)O)F)/N=C23

DOS

IR

Vibrations