Geometry & MOs

Info

ID:	86835
PubChem CID:	49889616
Reduced:	ClFNSO5H13C22 (1)
Stoich.:	ABCDE5F13G22 (1)
Weight, g/mol:	474.102512
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	6.36
IP(EA), eV:	-9.3(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)/SC2=O)F

DOS

IR

Vibrations