Geometry & MOs

Info

ID:	88278
PubChem CID:	49902724
Reduced:	NSBr2O4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	463.96777
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	5.82
IP(EA), eV:	-9.13(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br

DOS

IR

Vibrations