Geometry & MOs

Info

ID:	54584
PubChem CID:	17388941
Reduced:	BrFNSO3H11C17 (1)
Stoich.:	ABCDE3F11G17 (1)
Weight, g/mol:	403.034828
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	6.25
IP(EA), eV:	-9.15(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)NC(=O)S3)F

DOS

IR

Vibrations