Geometry & MOs

Info

ID:	52518
PubChem CID:	12015405
Reduced:	OSC9H14 (1)
Stoich.:	ABC9D14 (1)
Weight, g/mol:	600.251189
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	2.81
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(2,2-dimethyl-3-oxo-3-phenylpropanoyl)phenyl]-2,2-dimethyl-3-phenylpropane-1,3-dione

Drug info:

PubChemData

Smile

C[C@H](C[C@H](C)O)C1=CC=CS1

DOS

IR

Vibrations