Geometry & MOs

Info

ID:	305164
PubChem CID:	124766868
Reduced:	NO3C21H32 (1)
Stoich.:	AB3C21D32 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-111.97
Dipole, Da:	4.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750819
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-phenyldiazenylanilino)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)OC[C@@H]2CCC[N@+]3([C@H]2CCCC3)C

DOS

IR

Vibrations