Geometry & MOs

Info

ID:

426531

PubChem CID:

135145505

Reduced:

SO4N6H34C36 (1)

Stoich.:

AB4C6D34E36 (1)

Weight, g/mol:

484.165917

ΔHf, kcal/mol:

-21.81

Dipole, Da:

7.49

IP(EA), eV:

 -8.47(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonyl]amino]propylcarbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)C(=O)NCC4=CN=CC=C4)C5=CC6=CC(=CN=C6C=C5)NCC7CCOCC7

DOS

IR

Vibrations