Geometry & MOs

Info

ID:	443052
PubChem CID:	135257537
Reduced:	NO6C38H41 (1)
Stoich.:	AB6C38D41 (1)
Weight, g/mol:	401.07202
ΔH_f, kcal/mol:	-191.72
Dipole, Da:	4.36
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C2CCOCC2)C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations