Geometry & MOs

Info

ID:	88257
PubChem CID:	49902636
Reduced:	BrNSO4H20C25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	509.02964
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	2.9
IP(EA), eV:	-9.06(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations