Geometry & MOs

Info

ID:	311369
PubChem CID:	126591198
Reduced:	NF2O6C16H17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	247.116821
ΔH_f, kcal/mol:	-327.8
Dipole, Da:	7.33
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,6S)-2-(azidomethyl)-4,5,6-trimethoxyoxan-3-ol

Drug info:

PubChemData

Smile

C1[C@H](C([C@@H](C(O1)CO)O)O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)F

DOS

IR

Vibrations