Geometry & MOs

Info

ID:

222134

PubChem CID:

85294588

Reduced:

SN5O8C47H51 (1)

Stoich.:

AB5C8D47E51 (1)

Weight, g/mol:

846.376783

ΔHf, kcal/mol:

-115.84

Dipole, Da:

6.32

IP(EA), eV:

 -8.67(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylidene-6-[6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(C(OC(C2OCC3=CC=CC=C3)OCCC4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)COCCCCCN=[N+]=[N-])OCC7=CC=NC=C7

DOS

IR

Vibrations