Geometry & MOs

Info

ID:	406694
PubChem CID:	135078379
Reduced:	SnS4C44H68 (1)
Stoich.:	AB4C44D68 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	2.1
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl)heptane-2,6-dione

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C1=CC(=C(S1)C2=CC(=C(S2)C3=CC(=C(S3)C4=CC(=CS4)CC(C)C)CC(C)C)CC(C)C)CC(C)C

DOS

IR

Vibrations