Geometry & MOs

Info

ID:	87119
PubChem CID:	49892439
Reduced:	ClINSO4H17C21 (1)
Stoich.:	ABCDE4F17G21 (1)
Weight, g/mol:	544.026263
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	4.16
IP(EA), eV:	-9.31(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)I)OCC=C

DOS

IR

Vibrations