Geometry & MOs

Info

ID:	381068
PubChem CID:	134971698
Reduced:	SN3O6C24H31 (1)
Stoich.:	AB3C6D24E31 (1)
Weight, g/mol:	403.25834
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	8.49
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S)-3-azido-2-[6-(methoxymethyl)oxan-2-yl]oxy-4-phenylbutyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H](CC2=CC=CC=C2)N=[N+]=[N-])OC3CCCC(O3)COC

DOS

IR

Vibrations