Geometry & MOs

Info

ID:	86740
PubChem CID:	49888790
Reduced:	SCl2N2O2H18C23 (1)
Stoich.:	AB2C2D2E18F23 (1)
Weight, g/mol:	422.085577
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	4.75
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations