Geometry & MOs

Info

ID:

221551

PubChem CID:

85279604

Reduced:

PN4O16C78H129 (1)

Stoich.:

AB4C16D78E129 (1)

Weight, g/mol:

1421.595456

ΔHf, kcal/mol:

-821.49

Dipole, Da:

3.7

IP(EA), eV:

 -9.48(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[5-acetamido-4-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dibenzoyloxy-3-hydroxy-2-(phenylmethoxymethyl)oxan-3-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=[N+]=[N-])O)O)O)O)C(C(CCCCCCCCCCCCCCC)O)O

DOS

IR

Vibrations