Geometry & MOs

Info

ID:	51786
PubChem CID:	12014527
Reduced:	N3O10C16H21 (1)
Stoich.:	A3B10C16D21 (1)
Weight, g/mol:	178.095357
ΔH_f, kcal/mol:	-390.62
Dipole, Da:	4.02
IP(EA), eV:	-10.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H](C([C@H]([C@@H](C1N=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations