Geometry & MOs

Info

ID:	15649
PubChem CID:	446600
Reduced:	N2O7C14H18 (1)
Stoich.:	A2B7C14D18 (1)
Weight, g/mol:	326.111401
ΔH_f, kcal/mol:	-290.2
Dipole, Da:	4.23
IP(EA), eV:	-10.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations