Geometry & MOs

Info

ID:	86906
PubChem CID:	49889961
Reduced:	SN2Cl3O4H19C26 (1)
Stoich.:	AB2C3D4E19F26 (1)
Weight, g/mol:	420.130777
ΔH_f, kcal/mol:	-108.68
Dipole, Da:	5.94
IP(EA), eV:	-9.06(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations