Geometry & MOs

Info

ID:	160679
PubChem CID:	57389421
Reduced:	SO2N3F4H11C12 (1)
Stoich.:	AB2C3D4E11F12 (1)
Weight, g/mol:	322.137616
ΔH_f, kcal/mol:	-173.06
Dipole, Da:	2.13
IP(EA), eV:	-9.05(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid

Drug info:

PubChemData

Smile

C(CCOC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F)CCS

DOS

IR

Vibrations