Geometry & MOs

Info

ID:	16028
PubChem CID:	458027
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	253.095023
ΔH_f, kcal/mol:	-200.38
Dipole, Da:	4.19
IP(EA), eV:	-10.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations