Geometry & MOs

Info

ID:	87574
PubChem CID:	49895582
Reduced:	BrNSO4H20C23 (1)
Stoich.:	ABCD4E20F23 (1)
Weight, g/mol:	523.04529
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	5.06
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]-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=CC=C3C)Br)OCC#C

DOS

IR

Vibrations