Geometry & MOs

Info

ID:	199207
PubChem CID:	79216627
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	261.103479
ΔH_f, kcal/mol:	-149.01
Dipole, Da:	6.96
IP(EA), eV:	-9.99(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylbutylsulfonylamino)cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)NC(=O)NC1CC(C=C1)C(=O)O

DOS

IR

Vibrations