Geometry & MOs

Info

ID:	87230
PubChem CID:	49893387
Reduced:	SCl2N2O4H18C25 (1)
Stoich.:	AB2C2D4E18F25 (1)
Weight, g/mol:	452.096141
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	7.41
IP(EA), eV:	-9.08(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations