Geometry & MOs

Info

ID:	87132
PubChem CID:	49892581
Reduced:	SCl2N2O4H20C26 (1)
Stoich.:	AB2C2D4E20F26 (1)
Weight, g/mol:	436.125692
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	2.16
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations