Geometry & MOs

Info

ID:	179635
PubChem CID:	76514633
Reduced:	SO3N5F6H17C20 (1)
Stoich.:	AB3C5D6E17F20 (1)
Weight, g/mol:	481.139545
ΔH_f, kcal/mol:	-340.49
Dipole, Da:	9.66
IP(EA), eV:	-9.8(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanopyrimidin-4-yl)-N,N-diethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(F)(F)F)NC(=O)C1CC(CN1C2=NC(=NC=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations