Geometry & MOs

Info

ID:	19396
PubChem CID:	562888
Reduced:	NSO5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	283.051444
ΔH_f, kcal/mol:	-181.09
Dipole, Da:	9.96
IP(EA), eV:	-10.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)CC2C(=O)O

DOS

IR

Vibrations