Geometry & MOs

Info

ID:	84283
PubChem CID:	49865231
Reduced:	ClSF3N3O3H13C19 (1)
Stoich.:	ABC3D3E3F13G19 (1)
Weight, g/mol:	441.03758
ΔH_f, kcal/mol:	-204.86
Dipole, Da:	13.17
IP(EA), eV:	-8.96(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-6-methoxy-1-benzofuran-3-one;bromide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations