Geometry & MOs

Info

ID:	171199
PubChem CID:	75343164
Reduced:	NSO5H19C23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	477.02456
ΔH_f, kcal/mol:	-113.48
Dipole, Da:	2.43
IP(EA), eV:	-8.46(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations