Geometry & MOs

Info

ID:

444257

PubChem CID:

135261871

Reduced:

SN2O4C30H36 (1)

Stoich.:

AB2C4D30E36 (1)

Weight, g/mol:

495.254672

ΔHf, kcal/mol:

-128.25

Dipole, Da:

4.25

IP(EA), eV:

 -8.75(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(COC1=CC=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C(=O)NCCC(=O)NCCS)O

DOS

IR

Vibrations