Geometry & MOs

Info

ID:	81629
PubChem CID:	49854941
Reduced:	BrFSO3N4H18C26 (1)
Stoich.:	ABCD3E4F18G26 (1)
Weight, g/mol:	597.04702
ΔH_f, kcal/mol:	-31.05
Dipole, Da:	4.23
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(8-bromo-2-oxo-3-quinolin-8-ylsulfonylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)S(=O)(=O)C5=CC=CC(=C5)F)Br

DOS

IR

Vibrations