Geometry & MOs

Info

ID:	447170
PubChem CID:	135280911
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	284.181001
ΔH_f, kcal/mol:	-173.74
Dipole, Da:	2.84
IP(EA), eV:	-9.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-[4-(2-oxobutyl)thiolan-2-yl]heptan-3-one

Drug info:

PubChemData

Smile

C/1CC2C(C2COC(=O)OC3C(=O)CCC3=O)CC/C=C1

DOS

IR

Vibrations