Geometry & MOs

Info

ID:	392805
PubChem CID:	135018014
Reduced:	ON2H20C29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	681.330167
ΔH_f, kcal/mol:	82.55
Dipole, Da:	1.76
IP(EA), eV:	-7.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoylamino]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C3C=CC4=C(C3=CC5=C2C6=CC=CC=C6N5)NC7=CC=CC=C47

DOS

IR

Vibrations