Geometry & MOs

Info

ID:

426530

PubChem CID:

135145474

Reduced:

SO2N3H21C29 (1)

Stoich.:

AB2C3D21E29 (1)

Weight, g/mol:

646.236225

ΔHf, kcal/mol:

64.6

Dipole, Da:

6.68

IP(EA), eV:

 -8.76(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-3-[3-(oxan-4-ylmethylamino)quinolin-6-yl]-N-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)C4=CC5=C(C=CN=C5C=C4)C6=CC=CC=C6

DOS

IR

Vibrations