Geometry & MOs

Info

ID:	88251
PubChem CID:	49902619
Reduced:	BrNSO5H24C27 (1)
Stoich.:	ABCD5E24F27 (1)
Weight, g/mol:	553.05586
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	3.39
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]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)OCCOC4=CC=CC=C4

DOS

IR

Vibrations