Geometry & MOs

Info

ID:	405340
PubChem CID:	135073565
Reduced:	N2O11C16H28 (1)
Stoich.:	A2B11C16D28 (1)
Weight, g/mol:	364.030958
ΔH_f, kcal/mol:	-512.62
Dipole, Da:	8.44
IP(EA), eV:	-9.82(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-5-chloro-6-(2,4-dinitrophenoxy)-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)NC1[C@H](OC([C@H](C1O)O[C@H]2C(C([C@@H](C(O2)CO)O)O)NC(=O)C)CO)O

DOS

IR

Vibrations