Geometry & MOs

Info

ID:	382041
PubChem CID:	134972946
Reduced:	NO8C39H45 (1)
Stoich.:	AB8C39D45 (1)
Weight, g/mol:	636.294785
ΔH_f, kcal/mol:	-262.72
Dipole, Da:	3.83
IP(EA), eV:	-9.14(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]([C@H](CO)OCC1=CC=CC=C1)C([C@@H]([C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations