Geometry & MOs

Info

ID:	50017
PubChem CID:	11538769
Reduced:	O2N3F5H12C19 (1)
Stoich.:	A2B3C5D12E19 (1)
Weight, g/mol:	409.1849
ΔH_f, kcal/mol:	-242.39
Dipole, Da:	3.61
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3S,4R,5R,6R)-6-(azidomethyl)-3,5-bis(methoxymethoxy)-4-phenylmethoxyoxan-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=C(C=CC=N2)NC(=O)NC3=CC(=C(C=C3)F)F)C(F)(F)F

DOS

IR

Vibrations