Geometry & MOs

Info

ID:	218633
PubChem CID:	85089726
Reduced:	NSSiO4C26H37 (1)
Stoich.:	ABCD4E26F37 (1)
Weight, g/mol:	489.018221
ΔH_f, kcal/mol:	-169.64
Dipole, Da:	3.31
IP(EA), eV:	-8.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-hydroxymethylidene]-6,7-dioxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1C(N(C1=O)CC2=CC=C(C=C2)OC)CS(=O)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations