Geometry & MOs

Info

ID:

390182

PubChem CID:

134997628

Reduced:

NO3C27H35 (1)

Stoich.:

AB3C27D35 (1)

Weight, g/mol:

1133.402012

ΔHf, kcal/mol:

-105.82

Dipole, Da:

1.03

IP(EA), eV:

 -9.21(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-(1,3-benzoxazol-2-ylsulfanyl)-4-benzoyloxy-5-phenylmethoxy-2-[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCC/C(=C(/C(=O)C)\OCC1=CC=CC=C1)/NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations