Geometry & MOs

Info

ID:	343197
PubChem CID:	127266370
Reduced:	SF3N3O3C10H12 (1)
Stoich.:	AB3C3D3E10F12 (1)
Weight, g/mol:	339.050062
ΔH_f, kcal/mol:	-259.33
Dipole, Da:	7.29
IP(EA), eV:	-9.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-3-[2-(trifluoromethylsulfinyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCCS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations