Geometry & MOs

Info

ID:	138229
PubChem CID:	52331811
Reduced:	FSO2N4H10C16 (1)
Stoich.:	ABC2D4E10F16 (1)
Weight, g/mol:	298.155552
ΔH_f, kcal/mol:	30.72
Dipole, Da:	7.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.000280
Charge, e:	1

Chem-info

IUPAC name:

N-(3-hydroxypyridin-2-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=N[N+]3=C(/C(=C/C4=CC=C(C=C4)F)/C(=O)N=C3S2)N

DOS

IR

Vibrations