Geometry & MOs

Info

ID:	161430
PubChem CID:	57391664
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	356.121966
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	2.47
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2CC(C[C@@H]1N2CC(C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations