Geometry & MOs

Info

ID:	227046
PubChem CID:	87559881
Reduced:	SN3O6C21H31 (1)
Stoich.:	AB3C6D21E31 (1)
Weight, g/mol:	289.029681
ΔH_f, kcal/mol:	-219.43
Dipole, Da:	7.16
IP(EA), eV:	-8.87(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-thionitrosopyrazole

Drug info:

PubChemData

Smile

CC(C)(C)CCNCC1=CC(=C(C=C1)OC2=NC=C(C=C2)C(=O)N)OC.CS(=O)(=O)O

DOS

IR

Vibrations