Geometry & MOs

Info

ID:	313492
PubChem CID:	126614998
Reduced:	NSO2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	470.00999
ΔH_f, kcal/mol:	-156.05
Dipole, Da:	9.08
IP(EA), eV:	-8.71(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)CCN1C(/C(=C\C2=CC=C(C=C2)C)/SC1=S)O

DOS

IR

Vibrations