Geometry & MOs

Info

ID:	393225
PubChem CID:	135019776
Reduced:	SF3O4H21C27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	551.185019
ΔH_f, kcal/mol:	-253.62
Dipole, Da:	2.71
IP(EA), eV:	-9.12(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[2-[2-[(2R,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethylamino]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)CSCC(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C(F)(F)F

DOS

IR

Vibrations