Geometry & MOs

Info

ID:	227093
PubChem CID:	87560165
Reduced:	SN3O4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-79.27
Dipole, Da:	9.32
IP(EA), eV:	-8.67(-0.43)
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

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)OS(=O)(=O)C

DOS

IR

Vibrations