Geometry & MOs

Info

ID:	282823
PubChem CID:	103941226
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	249.067094
ΔH_f, kcal/mol:	-114.26
Dipole, Da:	3.54
IP(EA), eV:	-9.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylsulfonylethylcarbamoyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C(=O)C2=CC(=CC(=C2)O)O

DOS

IR

Vibrations