Geometry & MOs

Info

ID:	228082
PubChem CID:	87563350
Reduced:	O4N5H15C18 (1)
Stoich.:	A4B5C15D18 (1)
Weight, g/mol:	455.043754
ΔH_f, kcal/mol:	-76.31
Dipole, Da:	7.62
IP(EA), eV:	-9.43(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,3,3,3-pentafluoropropyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)O)CNC2=NC=NC3=C2C=C(C=C3C(=O)N)C=O

DOS

IR

Vibrations