Geometry & MOs

Info

ID:	436949
PubChem CID:	135213231
Reduced:	FO5N6C16H23 (1)
Stoich.:	AB5C6D16E23 (1)
Weight, g/mol:	399.216949
ΔH_f, kcal/mol:	-188.54
Dipole, Da:	4.44
IP(EA), eV:	-9.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R)-2-(aminomethyl)-5-(4-amino-2-oxopyridin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] octanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O[C@H]1[C@H](C(O[C@]1(CN=[N+]=[N-])CO)N2C=CC(=CC2=O)N)F)N

DOS

IR

Vibrations