Geometry & MOs

Info

ID:	232199
PubChem CID:	87575694
Reduced:	O3C32H52 (1)
Stoich.:	A3B32C52 (1)
Weight, g/mol:	516.210564
ΔH_f, kcal/mol:	-128.98
Dipole, Da:	3.93
IP(EA), eV:	-8.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4,4-difluoro-2-[4-[2-(4-methylphenyl)sulfonyloxyethyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O.C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CO

DOS

IR

Vibrations