Geometry & MOs

Info

ID:	81526
PubChem CID:	49854828
Reduced:	BrFSO3N4H20C27 (1)
Stoich.:	ABCD3E4F20G27 (1)
Weight, g/mol:	574.06742
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	7.84
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[8-bromo-3-(3,5-dimethylphenyl)sulfonyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2C3=CN=C4C=CC(=CC4=C3N(C2=O)C5=CC=C(C=C5)C(C)(C)C#N)Br)F

DOS

IR

Vibrations