Geometry & MOs

Info

ID:	49862
PubChem CID:	11534006
Reduced:	N2O3C36H36 (1)
Stoich.:	A2B3C36D36 (1)
Weight, g/mol:	544.348505
ΔH_f, kcal/mol:	35.62
Dipole, Da:	2.91
IP(EA), eV:	-8.59(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-3-(dibenzylamino)-N-methylbutanamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)C#CC2=CN=C3N2C[C@@H]([C@@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations