Geometry & MOs

Info

ID:

384332

PubChem CID:

134976790

Reduced:

PSeSiN5O14C55H66 (1)

Stoich.:

ABCD5E14F55G66 (1)

Weight, g/mol:

343.170116

ΔHf, kcal/mol:

-500.78

Dipole, Da:

7.74

IP(EA), eV:

 -8.82(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-tert-butyl-2-ethyl-4,5-diphenyl-1,3,2lambda5-oxazaphospholidine 2-oxide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COP(=[Se])(C)O[C@@H]4[C@H](O[C@H]([C@@H]4OC)N5C=CC(=O)NC5=O)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC

DOS

IR

Vibrations