Geometry & MOs

Info

ID:	186921
PubChem CID:	77505980
Reduced:	ClNSO4C17H22 (1)
Stoich.:	ABCD4E17F22 (1)
Weight, g/mol:	303.033207
ΔH_f, kcal/mol:	-162.87
Dipole, Da:	11.09
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)sulfonyl-1-methylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CC(CC2C(=O)O)S(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations