Geometry & MOs

Info

ID:	171196
PubChem CID:	75342984
Reduced:	ClNSO4H18C23 (1)
Stoich.:	ABCD4E18F23 (1)
Weight, g/mol:	551.09985
ΔH_f, kcal/mol:	-84.22
Dipole, Da:	4.27
IP(EA), eV:	-8.81(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4Cl)SC2=O

DOS

IR

Vibrations