Geometry & MOs

Info

ID:	313489
PubChem CID:	126614991
Reduced:	ClNO4H24C25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	402.140199
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	6.56
IP(EA), eV:	-8.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=C(C(=O)OC3=CC=C(C=C3)Cl)OC(=O)C)C)C

DOS

IR

Vibrations