Geometry & MOs

Info

ID:

379669

PubChem CID:

134455453

Reduced:

SO2N9C25H27 (1)

Stoich.:

AB2C9D25E27 (1)

Weight, g/mol:

489.119479

ΔHf, kcal/mol:

44.16

Dipole, Da:

7.81

IP(EA), eV:

 -8.54(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-7-N-(4-fluoro-2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NC2=NC3=C(C(=C2)NC4=C(C=C(C=C4)C5=NN(C=C5C)C)S(=O)(=O)C)NC(=N3)C

DOS

IR

Vibrations