Geometry & MOs

Info

ID:	88319
PubChem CID:	49902903
Reduced:	NSBr2O2H11C17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	429.114713
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	3.51
IP(EA), eV:	-9.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br

DOS

IR

Vibrations