Geometry & MOs

Info

ID:	227052
PubChem CID:	87559919
Reduced:	NSO4C6H15 (1)
Stoich.:	ABC4D6E15 (1)
Weight, g/mol:	221.042297
ΔH_f, kcal/mol:	-196.85
Dipole, Da:	6.84
IP(EA), eV:	-10.23(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-3-thionitrosopyrazole

Drug info:

PubChemData

Smile

CC(C(C)O)C(C)(N)S(=O)(=O)O

DOS

IR

Vibrations