Geometry & MOs

Info

ID:	48314
PubChem CID:	10538842
Reduced:	ClNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	253.98038
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	6.33
IP(EA), eV:	-8.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-ethyl-5-(iodomethyl)oxolan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC2=CC=CC=C12)SCCCl

DOS

IR

Vibrations