Geometry & MOs

Info

ID:

85307

PubChem CID:

49873636

Reduced:

O29C57H94 (1)

Stoich.:

A29B57C94 (1)

Weight, g/mol:

1070.518028

ΔHf, kcal/mol:

-1368.69

Dipole, Da:

7.04

IP(EA), eV:

 -9.93(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hexanoate

Drug info:

PubChemData

Smile

CC1CC[C@@]2(C(C3C(O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(C[C@H]([C@@H](C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1

DOS

IR

Vibrations