Geometry & MOs

Info

ID:	311393
PubChem CID:	126591304
Reduced:	F2N2O5C25H38 (1)
Stoich.:	A2B2C5D25E38 (1)
Weight, g/mol:	207.110673
ΔH_f, kcal/mol:	-288.13
Dipole, Da:	4.41
IP(EA), eV:	-9.31(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-2-(hydroxymethyl)-6-(methylaminomethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4C[C@H]5CN(C[C@H]5C4)CC(F)F)OC)C

DOS

IR

Vibrations