Geometry & MOs

Info

ID:	136035
PubChem CID:	51969195
Reduced:	SN2O3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	417.221189
ΔH_f, kcal/mol:	-86.68
Dipole, Da:	1.09
IP(EA), eV:	-8.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]azanium

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)OC[C@@H](CNC[C@@H](C3=CC=CS3)N4CCOCC4)O

DOS

IR

Vibrations