Geometry & MOs

Info

ID:	88288
PubChem CID:	49902750
Reduced:	BrClNSO3H13C21 (1)
Stoich.:	ABCDE3F13G21 (1)
Weight, g/mol:	616.96941
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	3.23
IP(EA), eV:	-9.1(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations