Geometry & MOs

Info

ID:	86970
PubChem CID:	49890288
Reduced:	NSCl2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	314.072513
ΔH_f, kcal/mol:	-114.97
Dipole, Da:	1.5
IP(EA), eV:	-9.31(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Cl)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations