Geometry & MOs

Info

ID:	171052
PubChem CID:	75317837
Reduced:	BrNSF2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	437.084555
ΔH_f, kcal/mol:	-160.41
Dipole, Da:	3.52
IP(EA), eV:	-9.28(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)methyl]-5-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Br)OCC4=CC=CC=C4F

DOS

IR

Vibrations