Geometry & MOs

Info

ID:

45288

PubChem CID:

10510605

Reduced:

O38C51H76 (1)

Stoich.:

A38B51C76 (1)

Weight, g/mol:

1516.418128

ΔHf, kcal/mol:

-1648.33

Dipole, Da:

2.94

IP(EA), eV:

 -10.32(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6S,10R,14R)-16-[(2S)-1-[(3R,7R,11S,15S,18S,22S,26R,30R)-32-[(2S)-2-[(3R,7R,11S,15S)-16-hydroxy-3,7,11,15-tetramethylhexadecoxy]-3-phenylmethoxypropoxy]-3,7,11,15,18,22,26,30-octamethyldotriacontoxy]-3-phenylmethoxypropan-2-yl]oxy-2,6,10,14-tetramethylhexadecan-1-ol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O

DOS

IR

Vibrations