Geometry & MOs

Info

ID:

391579

PubChem CID:

135006673

Reduced:

SiO10C45H60 (1)

Stoich.:

AB10C45D60 (1)

Weight, g/mol:

535.257642

ΔHf, kcal/mol:

-421.85

Dipole, Da:

3.06

IP(EA), eV:

 -8.81(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(R)-tert-butylsulfinyl]-1,3-dihydroisoindol-5-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H](CO[C@H](O2)C3=CC=C(C=C3)OC)O[C@H]1CCC4C(=O)C[C@@H]5[C@@H](O4)C[C@H]([C@@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations