Geometry & MOs

Info

ID:	398433
PubChem CID:	135033273
Reduced:	NSO5H27C34 (1)
Stoich.:	ABC5D27E34 (1)
Weight, g/mol:	539.267173
ΔH_f, kcal/mol:	-50.74
Dipole, Da:	5.01
IP(EA), eV:	-9.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine

Drug info:

PubChemData

Smile

C1[C@@H]([C@]([C@H]([C@@H](S1(=O)=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C(=O)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5

DOS

IR

Vibrations