Geometry & MOs

Info

ID:	227092
PubChem CID:	87560164
Reduced:	OS2F3N3H6C9 (1)
Stoich.:	AB2C3D3E6F9 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-141.37
Dipole, Da:	4.98
IP(EA), eV:	-9.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino] methanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=N2)NC(=S)N)OC(F)(F)F

DOS

IR

Vibrations