Geometry & MOs

Info

ID:	391149
PubChem CID:	135003159
Reduced:	NSiO8C31H37 (1)
Stoich.:	ABC8D31E37 (1)
Weight, g/mol:	302.153918
ΔH_f, kcal/mol:	-318.7
Dipole, Da:	3.99
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[3-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-methyl-3-oxopropyl]boranuide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H](C=C3C([C@@H]2O1)N(C(=O)C4=CC5=C(C=C34)OCO5)C(=O)OCC6=CC=CC=C6)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations