Geometry & MOs

Info

ID:	343932
PubChem CID:	127267108
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	317.073574
ΔH_f, kcal/mol:	-66.84
Dipole, Da:	4.87
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxypyridin-3-yl)-3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=O)NC2=C1C=C(C=C2)NS(=O)(=O)C3=CN(N=C3)C(C)C

DOS

IR

Vibrations