Geometry & MOs

Info

ID:

379516

PubChem CID:

134438739

Reduced:

SN3H27C39 (1)

Stoich.:

AB3C27D39 (1)

Weight, g/mol:

477.128232

ΔHf, kcal/mol:

200.89

Dipole, Da:

6.27

IP(EA), eV:

 -7.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-N-[4-(4-cyclopropyl-2-methylsulfonylanilino)-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]-2,2-difluorocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(N3/N=C(\C=C(\C5=CC=CC=C5)/N)/C6=CC=CC=C6)C=CC7=C4SC8=CC=CC=C78

DOS

IR

Vibrations