Geometry & MOs

Info

ID:	150959
PubChem CID:	53790656
Reduced:	N4O4C7H8 (1)
Stoich.:	A4B4C7D8 (1)
Weight, g/mol:	335.136887
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	3.34
IP(EA), eV:	-10.45(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-[(2-hydroxynaphthalen-1-yl)amino]-6-methoxyoxane-3,4-diol

Drug info:

PubChemData

Smile

CN(C(=NC(=O)O)N1C=CC=N1)C(=O)O

DOS

IR

Vibrations