Geometry & MOs

Info

ID:	396723
PubChem CID:	135029086
Reduced:	BrSN2O2H17C22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	268.112624
ΔH_f, kcal/mol:	32.57
Dipole, Da:	6.54
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-cyclopenta-2,4-dien-1-ylidene-4-phenylquinolin-1-ide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations