Geometry & MOs

Info

ID:	38556
PubChem CID:	8137062
Reduced:	FSO3N4C15H15 (1)
Stoich.:	ABC3D4E15F15 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	5.19
IP(EA), eV:	-9.3(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations