Geometry & MOs

Info

ID:	84619
PubChem CID:	49868668
Reduced:	FON2H12C13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	393.269921
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	5.77
IP(EA), eV:	-8.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2S,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate

Drug info:

PubChemData

Smile

CN1C2=C(CN3CCC2CC3)C4=C1N=C(C=C4)N5C=CC(=CC5=O)OCC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations