Geometry & MOs

Info

ID:	148095
PubChem CID:	53787757
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	368.144616
ΔH_f, kcal/mol:	-152.99
Dipole, Da:	8.14
IP(EA), eV:	-9.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylbutyl)-6-phenyl-3-phenylsulfanyloxane-2,4-dione

Drug info:

PubChemData

Smile

C=COCCCCCCCCOC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations