Geometry & MOs

Info

ID:	159066
PubChem CID:	57260108
Reduced:	FN2S2O5C30H33 (1)
Stoich.:	AB2C2D5E30F33 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-178.5
Dipole, Da:	4.0
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)ONC(=O)C[C@@]2(CCCCS2)C3=CC=C(S3)C4=CC(=CC=C4)NC(=O)COC5=CC=C(C=C5)F

DOS

IR

Vibrations