Geometry & MOs

Info

ID:	88210
PubChem CID:	49902294
Reduced:	BrClSN3O3H15C23 (1)
Stoich.:	ABCD3E3F15G23 (1)
Weight, g/mol:	513.98342
ΔH_f, kcal/mol:	13.34
Dipole, Da:	7.41
IP(EA), eV:	-9.01(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations