Geometry & MOs

Info

ID:	88408
PubChem CID:	49903327
Reduced:	BrClNSO5H19C26 (1)
Stoich.:	ABCDE5F19G26 (1)
Weight, g/mol:	517.93388
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	4.3
IP(EA), eV:	-9.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]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)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations