Geometry & MOs

Info

ID:	43970
PubChem CID:	10322566
Reduced:	N2F3O4H23C25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	472.226825
ΔH_f, kcal/mol:	-235.47
Dipole, Da:	3.66
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]hexanamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC(=C2)N(CC3=CN=CC=C3)C4=CC(=CC(=C4)C(=O)O)F)OC(F)F

DOS

IR

Vibrations