Geometry & MOs

Info

ID:	383162
PubChem CID:	134974732
Reduced:	SO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	466.220283
ΔH_f, kcal/mol:	-203.37
Dipole, Da:	2.44
IP(EA), eV:	-8.55(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-(2-methoxy-2-oxoethyl)-1-[5-(oxan-2-yloxy)pent-2-ynyl]-2-oxocyclopentane-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H]2[C@@H](OC(O2)(C)C)C3SCCCS3)C

DOS

IR

Vibrations