Geometry & MOs

Info

ID:	188549
PubChem CID:	77732002
Reduced:	FNSO4H12C17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	475.074199
ΔH_f, kcal/mol:	-121.74
Dipole, Da:	6.8
IP(EA), eV:	-9.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methylidene]-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methylquinoline-2,4-dione

Drug info:

PubChemData

Smile

C[N+]1=[S-](=O)C(=CC2=CC(=CC=C2)F)C(=O)C3=C1C=CC(=C3)C(=O)O

DOS

IR

Vibrations