Geometry & MOs

Info

ID:	151253
PubChem CID:	53790953
Reduced:	SF3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-285.31
Dipole, Da:	2.02
IP(EA), eV:	-10.03(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC(=O)C(=CC(=C1)C(F)(F)F)SC(=O)C(=O)OC

DOS

IR

Vibrations