Geometry & MOs

Info

ID:	388966
PubChem CID:	134990768
Reduced:	SiO9C29H38 (1)
Stoich.:	AB9C29D38 (1)
Weight, g/mol:	393.157623
ΔH_f, kcal/mol:	-370.3
Dipole, Da:	2.67
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(3-nitrophenyl)methylidene]-6-(2-phenylethyl)-6-propyloxane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H](C2=CC3=C(C=C2C1=O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

DOS

IR

Vibrations