Geometry & MOs

Info

ID:

45150

PubChem CID:

10508477

Reduced:

S2O3N8H32C33 (1)

Stoich.:

A2B3C8D32E33 (1)

Weight, g/mol:

654.26245

ΔHf, kcal/mol:

59.23

Dipole, Da:

6.61

IP(EA), eV:

 -8.3(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R)-7-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhept-5-yn-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=NC=CC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)/C(=N\SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/N

DOS

IR

Vibrations