Geometry & MOs

Info

ID:

392197

PubChem CID:

135013645

Reduced:

N2F3O15H41C44 (2)

Stoich.:

A2B3C15D41E44 (2)

Weight, g/mol:

409.22845

ΔHf, kcal/mol:

-1388.88

Dipole, Da:

10.18

IP(EA), eV:

 -8.23(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-(hydroxymethyl)oxiran-2-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OC2=CC=CC(=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC(=CC=C8)O[C@H]9C(C([C@@H](C(O9)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C=C5)C1=CC(=CC=C1)O[C@H]1C(C([C@@H](C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N4)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations