Geometry & MOs

Info

ID:

444122

PubChem CID:

135261394

Reduced:

FSO3N8H29C31 (1)

Stoich.:

ABC3D8E29F31 (1)

Weight, g/mol:

555.181901

ΔHf, kcal/mol:

17.96

Dipole, Da:

7.64

IP(EA), eV:

 -8.82(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)CNS(=O)(=O)C)F)/NN3

DOS

IR

Vibrations