Geometry & MOs

Info

ID:	88497
PubChem CID:	49903866
Reduced:	BrClNSO5H17C25 (1)
Stoich.:	ABCDE5F17G25 (1)
Weight, g/mol:	465.063071
ΔH_f, kcal/mol:	-109.32
Dipole, Da:	4.67
IP(EA), eV:	-9.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations