Geometry & MOs

Info

ID:	394458
PubChem CID:	135023022
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	1.64
IP(EA), eV:	-9.18(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,5R)-1-phenylmethoxyoctane-2,3,5-triol

Drug info:

PubChemData

Smile

CC1=C(C2=NC3=C(C=CC(=C3)C(=O)O)NC2=CC1=O)C

DOS

IR

Vibrations