Geometry & MOs

Info

ID:	232021
PubChem CID:	87575160
Reduced:	SN2O2F3H7C11 (1)
Stoich.:	AB2C2D3E7F11 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-189.8
Dipole, Da:	5.11
IP(EA), eV:	-9.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-methyl-2-nitro-1-oxido-2-phenylpiperidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)O)C(F)(F)F

DOS

IR

Vibrations