Geometry & MOs

Info

ID:	382040
PubChem CID:	134972945
Reduced:	NO7C37H43 (1)
Stoich.:	AB7C37D43 (1)
Weight, g/mol:	655.314517
ΔH_f, kcal/mol:	-215.95
Dipole, Da:	2.86
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5S,6R)-3-acetamido-1-hydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-4-yl] acetate

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)O

DOS

IR

Vibrations