Geometry & MOs

Info

ID:	381067
PubChem CID:	134971697
Reduced:	NC3H3 (10)
Stoich.:	AB3C3 (10)
Weight, g/mol:	489.193357
ΔH_f, kcal/mol:	255.31
Dipole, Da:	9.83
IP(EA), eV:	-9.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)CN(CC3=CN=NN3CC4=CC=CC=C4)CC5=CN(N=N5)CC6=CC=CC=C6

DOS

IR

Vibrations