Geometry & MOs

Info

ID:	222425
PubChem CID:	85300679
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	326.24571
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	3.44
IP(EA), eV:	-9.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[10-(oxan-2-yloxy)decyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)N3CCOCC3

DOS

IR

Vibrations