Geometry & MOs

Info

ID:	32416
PubChem CID:	7801120
Reduced:	NSF2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-182.83
Dipole, Da:	5.05
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2F)F)C

DOS

IR

Vibrations