Geometry & MOs

Info

ID:	403562
PubChem CID:	135060807
Reduced:	FSN2O3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	331.079076
ΔH_f, kcal/mol:	-86.41
Dipole, Da:	7.67
IP(EA), eV:	-9.84(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzylpyrazol-4-yl)-fluoromethyl]sulfonylpyridine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(F)S(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations