Geometry & MOs

Info

ID:	424666
PubChem CID:	135123550
Reduced:	NSF3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	432.04332
ΔH_f, kcal/mol:	-149.13
Dipole, Da:	3.09
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-oxido-10-oxophenazin-10-ium-1-yl) 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(C=CC(=C2)C(F)(F)F)SNC1

DOS

IR

Vibrations