Geometry & MOs

Info

ID:	215800
PubChem CID:	85085270
Reduced:	O3C7H10 (1)
Stoich.:	A3B7C10 (1)
Weight, g/mol:	142.008851
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	4.21
IP(EA), eV:	-10.14(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiabicyclo[3.2.0]heptane-2,4-dione

Drug info:

PubChemData

Smile

COC12CCCC1OC2=O

DOS

IR

Vibrations