Geometry & MOs

Info

ID:	232868
PubChem CID:	87577313
Reduced:	F3N3O3C19H22 (1)
Stoich.:	A3B3C3D19E22 (1)
Weight, g/mol:	225.121237
ΔH_f, kcal/mol:	-214.93
Dipole, Da:	7.91
IP(EA), eV:	-9.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;methoxymethane

Drug info:

PubChemData

Smile

COCCC1=NOC(=N1)C2CC(CN(C2)C=O)C3=CC=C(C=C3)CC(F)(F)F

DOS

IR

Vibrations