Geometry & MOs

Info

ID:	426532
PubChem CID:	135145521
Reduced:	FO3N6H21C26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	584.108518
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	4.84
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=C3C=C(C=C(C3=NC=C2)F)C4=CNC5=C4C=C(C=N5)C(=O)NCCCNC(=O)O

DOS

IR

Vibrations