Geometry & MOs

Info

ID:	426537
PubChem CID:	135145764
Reduced:	BrON3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	504.102289
ΔH_f, kcal/mol:	54.98
Dipole, Da:	1.17
IP(EA), eV:	-8.67(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-8-methylquinolin-6-yl)-N-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC2=NC=CC3=CC(=CN=C32)C=O

DOS

IR

Vibrations