Geometry & MOs

Info

ID:	123645
PubChem CID:	50857737
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	51.84
Dipole, Da:	5.11
IP(EA), eV:	-8.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(5-methyl-1-phenylpyrrol-3-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=C(C=C2)OC)/C=N/NC(=O)C3=CC=C(C=C3)N4C=CC=C4

DOS

IR

Vibrations