Geometry & MOs

Info

ID:	88266
PubChem CID:	49902692
Reduced:	BrClNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	554.01472
ΔH_f, kcal/mol:	-78.53
Dipole, Da:	3.22
IP(EA), eV:	-8.8(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations