Geometry & MOs

Info

ID:

448180

PubChem CID:

135289073

Reduced:

FSO3N7H28C31 (1)

Stoich.:

ABC3D7E28F31 (1)

Weight, g/mol:

597.195837

ΔHf, kcal/mol:

-1.45

Dipole, Da:

4.8

IP(EA), eV:

 -8.42(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)C(N)S(=O)(=O)C

DOS

IR

Vibrations