Geometry & MOs

Info

ID:	374289
PubChem CID:	131326276
Reduced:	BrNSF2O2H6C8 (1)
Stoich.:	ABCD2E2F6G8 (1)
Weight, g/mol:	226.052447
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	2.12
IP(EA), eV:	-9.34(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-amino-3-methyl-2-oxo-1H-imidazol-5-yl)-4-methyl-3H-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1[N+](=O)[O-])Br)C(F)F

DOS

IR

Vibrations