Geometry & MOs

Info

ID:	31885
PubChem CID:	3722621
Reduced:	SN4O5H10C12 (1)
Stoich.:	AB4C5D10E12 (1)
Weight, g/mol:	457.97583
ΔH_f, kcal/mol:	-40.36
Dipole, Da:	8.89
IP(EA), eV:	-10.26(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC2=NC(=O)C(S2)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations