Geometry & MOs

Info

ID:	50202
PubChem CID:	12012713
Reduced:	CaCl2K2O2H12C20 (1)
Stoich.:	AB2C2D2E12F20 (1)
Weight, g/mol:	396.193674
ΔH_f, kcal/mol:	-247.39
Dipole, Da:	11.69
IP(EA), eV:	-7.15(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl 2-[(1S)-3-oxo-1,3-diphenylpropyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)[O-])[O-].[Cl-].[Cl-].[K+].[K+].[Ca+2]

DOS

IR

Vibrations