Geometry & MOs

Info

ID:	48520
PubChem CID:	10852290
Reduced:	NO3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-134.38
Dipole, Da:	8.99
IP(EA), eV:	-8.67(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6R)-5-amino-4-(benzylamino)-6-methyloct-7-ene-1,2,3-triol

Drug info:

PubChemData

Smile

CN(C)/C=C/C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OC)C(=O)OC

DOS

IR

Vibrations