Geometry & MOs

Info

ID:	294632
PubChem CID:	117475874
Reduced:	NSF2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	295.062677
ΔH_f, kcal/mol:	-236.83
Dipole, Da:	4.2
IP(EA), eV:	-9.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(4-methylsulfonyl-1,3-benzodioxol-5-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CNCC(C1=CC(=C(C(=C1OC)F)S(=O)(=O)C)F)O

DOS

IR

Vibrations