Geometry & MOs

Info

ID:	146095
PubChem CID:	53635062
Reduced:	SN2Cl3O6H17C18 (1)
Stoich.:	AB2C3D6E17F18 (1)
Weight, g/mol:	408.057847
ΔH_f, kcal/mol:	-189.58
Dipole, Da:	4.21
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-methylsulfonylurea

Drug info:

PubChemData

Smile

COC1=CS[C@H]2[C@@H](C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations