Geometry & MOs

Info

ID:

309013

PubChem CID:

126534611

Reduced:

FO2N7H32C38 (1)

Stoich.:

AB2C7D32E38 (1)

Weight, g/mol:

542.153638

ΔHf, kcal/mol:

93.35

Dipole, Da:

8.92

IP(EA), eV:

 -8.4(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2Z)-2-[5-(5-methoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CC=CC4=N/C(=C\5/C6=C(NN5)N=CC(=C6)C7=CC(=CN=C7)NC(=O)C8=CC=CC=C8)/C=C43)F

DOS

IR

Vibrations