Geometry & MOs

Info

ID:

396400

PubChem CID:

135028276

Reduced:

NSiO8C34H49 (1)

Stoich.:

ABC8D34E49 (1)

Weight, g/mol:

541.249579

ΔHf, kcal/mol:

-348.22

Dipole, Da:

2.23

IP(EA), eV:

 -8.92(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,2R,6S,7S,10S)-7-[(1S)-1,2-dihydroxyethyl]-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-yl]ethanone

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]2[C@H]3[C@@H]([C@H]4N2O[C@@H](C4)C(CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)(OC)OC)OC(O3)(C)C)C

DOS

IR

Vibrations