Geometry & MOs

Info

ID:	123565
PubChem CID:	50854263
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	9.09
IP(EA), eV:	-8.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[2-(4-methylphenoxy)ethyl]-5-[(1-propan-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CN(C=C3)C(C)C)/NC2=O

DOS

IR

Vibrations