Geometry & MOs

Info

ID:	218879
PubChem CID:	85090103
Reduced:	PbO8C14H21 (1)
Stoich.:	AB8C14D21 (1)
Weight, g/mol:	521.204967
ΔH_f, kcal/mol:	-346.64
Dipole, Da:	8.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020450
Charge, e:	0

Chem-info

IUPAC name:

[6-acetyloxy-5-(1,3-dioxoisoindol-2-yl)-3-(2-methylprop-2-enyl)-4-phenylmethoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)O.CC(=O)O.CC(=O)O.COC1=CC(=C(C=C1)OC)[Pb]

DOS

IR

Vibrations