Geometry & MOs

Info

ID:

447891

PubChem CID:

135286599

Reduced:

ClF2O2N5H22C24 (1)

Stoich.:

AB2C2D5E22F24 (1)

Weight, g/mol:

507.181901

ΔHf, kcal/mol:

-87.56

Dipole, Da:

3.62

IP(EA), eV:

 -8.86(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluoro-5-hydroxyphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)CO)F)NC2=C(C=NC3=CC(=C(N=C32)C4=CN=C(N=C4)C(C)(C)O)F)Cl

DOS

IR

Vibrations