Geometry & MOs

Info

ID:	88065
PubChem CID:	49900377
Reduced:	SCl2N2O4H18C24 (1)
Stoich.:	AB2C2D4E18F24 (1)
Weight, g/mol:	532.077905
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	2.76
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)OCC4=CC=NC=C4

DOS

IR

Vibrations