Geometry & MOs

Info

ID:	395481
PubChem CID:	135025568
Reduced:	NO5C33H35 (1)
Stoich.:	AB5C33D35 (1)
Weight, g/mol:	593.277738
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	2.51
IP(EA), eV:	-9.24(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[[(2R,3R,4R,5S,6S)-2,4,5,6-tetrakis(phenylmethoxy)oxan-3-yl]amino]but-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N

DOS

IR

Vibrations