Geometry & MOs

Info

ID:

336413

PubChem CID:

127255420

Reduced:

SiN5O6C47H49 (1)

Stoich.:

AB5C6D47E49 (1)

Weight, g/mol:

508.203193

ΔHf, kcal/mol:

-113.8

Dipole, Da:

14.96

IP(EA), eV:

 -8.79(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroisoindol-2-yl]phenyl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=NC8=C7NC(=NC8=O)N

DOS

IR

Vibrations