Geometry & MOs

Info

ID:	317362
PubChem CID:	126636851
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	282.01168
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	4.4
IP(EA), eV:	-8.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,5S)-2-iodo-5-methylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)CCC2=C1C(=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)C)C#C

DOS

IR

Vibrations