Geometry & MOs

Info

ID:	86924
PubChem CID:	49890002
Reduced:	ClFNSO5H17C25 (1)
Stoich.:	ABCDE5F17G25 (1)
Weight, g/mol:	474.037182
ΔH_f, kcal/mol:	-159.04
Dipole, Da:	5.69
IP(EA), eV:	-9.11(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations