Geometry & MOs

Info

ID:	228243
PubChem CID:	87563733
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	505.099378
ΔH_f, kcal/mol:	-88.25
Dipole, Da:	9.75
IP(EA), eV:	-8.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)N

DOS

IR

Vibrations