Geometry & MOs

Info

ID:	382039
PubChem CID:	134972944
Reduced:	NO8C40H43 (1)
Stoich.:	AB8C40D43 (1)
Weight, g/mol:	613.303953
ΔH_f, kcal/mol:	-228.79
Dipole, Da:	3.05
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H](C=C(OC1[C@@H]([C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC)OCC5=CC=CC=C5

DOS

IR

Vibrations