Geometry & MOs

Info

ID:

396507

PubChem CID:

135028600

Reduced:

N2O6C23H24 (1)

Stoich.:

A2B6C23D24 (1)

Weight, g/mol:

345.19715

ΔHf, kcal/mol:

-176.9

Dipole, Da:

2.73

IP(EA), eV:

 -8.91(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,6S,7R,9S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3,5,8-trioxa-11-azatricyclo[5.3.1.02,6]undecan-9-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N([C@]34[C@]25[C@@H]6[C@@H]7N8[C@H]5[C@](CCC8)(CC3)[C@H](C4(C6=O)O)O7)C(=O)OC

DOS

IR

Vibrations