Geometry & MOs

Info

ID:	305041
PubChem CID:	124766455
Reduced:	NCl2O6C15H19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	379.058943
ΔH_f, kcal/mol:	-266.46
Dipole, Da:	3.66
IP(EA), eV:	-9.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3S,4S,5S,6R)-2-[(2,4-dichlorophenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@H]1OCC2=C(C=C(C=C2)Cl)Cl)CO)O)O

DOS

IR

Vibrations