Geometry & MOs

Info

ID:	302894
PubChem CID:	124398367
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	4.65
IP(EA), eV:	-9.01(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC1=C(C=C(C=C1OC)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations