Geometry & MOs

Info

ID:

44989

PubChem CID:

10507039

Reduced:

SN3O3C12H13 (2)

Stoich.:

AB3C3D12E13 (2)

Weight, g/mol:

558.333643

ΔHf, kcal/mol:

-173.55

Dipole, Da:

3.62

IP(EA), eV:

 -9.55(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-1-(oxan-2-yloxy)-3-(prop-2-enoxycarbonylamino)oxypropan-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N

DOS

IR

Vibrations