Geometry & MOs

Info

ID:	220195
PubChem CID:	85165348
Reduced:	PN5O6C36H40 (1)
Stoich.:	AB5C6D36E40 (1)
Weight, g/mol:	669.272653
ΔH_f, kcal/mol:	-158.64
Dipole, Da:	10.72
IP(EA), eV:	-9.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyisoindol-1-one

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C1C=CC(C(O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=NC6C5=NC(=NC6=O)N)OC(C)C

DOS

IR

Vibrations