Geometry & MOs

Info

ID:	87522
PubChem CID:	49895198
Reduced:	BrNSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	490.119858
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	4.49
IP(EA), eV:	-9.09(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)Br)O

DOS

IR

Vibrations