Geometry & MOs

Info

ID:	424273
PubChem CID:	135122000
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	276.049001
ΔH_f, kcal/mol:	-141.02
Dipole, Da:	4.57
IP(EA), eV:	-9.42(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(propyldisulfanyl)-2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one

Drug info:

PubChemData

Smile

CC[C@]1([C@H](CCC2=C1OC(=C(C2=O)C)C)O)C

DOS

IR

Vibrations