Geometry & MOs

Info

ID:	200214
PubChem CID:	79363997
Reduced:	NSO5C9H15 (1)
Stoich.:	ABC5D9E15 (1)
Weight, g/mol:	285.056799
ΔH_f, kcal/mol:	-230.57
Dipole, Da:	4.41
IP(EA), eV:	-9.98(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-fluorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)CS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations