Geometry & MOs

Info

ID:	343198
PubChem CID:	127266371
Reduced:	SF3N3O4C11H12 (1)
Stoich.:	AB3C3D4E11F12 (1)
Weight, g/mol:	295.060232
ΔH_f, kcal/mol:	-221.27
Dipole, Da:	5.93
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-2-yl)-3-[2-(trifluoromethylsulfinyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCCS(=O)C(F)(F)F

DOS

IR

Vibrations