Geometry & MOs

Info

ID:	19619
PubChem CID:	569182
Reduced:	NO7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	325.116152
ΔH_f, kcal/mol:	-291.48
Dipole, Da:	1.82
IP(EA), eV:	-10.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N(C1C(C(C(OC1O)CO)O)O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations