Geometry & MOs

Info

ID:	224258
PubChem CID:	85340850
Reduced:	PO5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	260.10823
ΔH_f, kcal/mol:	-238.07
Dipole, Da:	1.52
IP(EA), eV:	-8.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-3,4-dimethyl-3-(methylsulfanylmethoxy)oxepane-2,7-dione

Drug info:

PubChemData

Smile

CC=COP(=O)(OC)OC1=CC=C(C=C1)OC

DOS

IR

Vibrations