Geometry & MOs

Info

ID:	123594
PubChem CID:	50854951
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	433.146013
ΔH_f, kcal/mol:	22.08
Dipole, Da:	2.22
IP(EA), eV:	-8.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-5-[(1-phenylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=NC(=O)/C(=C\C3=CN(C=C3)C4CCCCC4)/S2

DOS

IR

Vibrations