Geometry & MOs

Info

ID:

47466

PubChem CID:

10532968

Reduced:

O13C38H64 (1)

Stoich.:

A13B38C64 (1)

Weight, g/mol:

731.335922

ΔHf, kcal/mol:

-661.33

Dipole, Da:

8.87

IP(EA), eV:

 -9.88(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3S,4S)-2,3,5-tris(phenylmethoxy)-1-(2-trityl-1,2,4-triazol-3-yl)pentane-1,4-diol

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@H]4[C@@]3(C[C@H]([C@@H](C4)O)O)C)C)[C@@H](CCC(C)C)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

DOS

IR

Vibrations