Geometry & MOs

Info

ID:	201771
PubChem CID:	79580324
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	247.087829
ΔH_f, kcal/mol:	24.68
Dipole, Da:	6.2
IP(EA), eV:	-8.86(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1=CN(C=C1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])N

DOS

IR

Vibrations