Geometry & MOs

Info

ID:	149394
PubChem CID:	53789066
Reduced:	N3C8H9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	680.07758
ΔH_f, kcal/mol:	52.91
Dipole, Da:	6.74
IP(EA), eV:	-9.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-4,5-dihydroxy-1-oxo-6-sulfooxy-2-[(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexoxy]sulfonyloxyhexan-3-yl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

Drug info:

PubChemData

Smile

CC1=CC2=NC=NC=C2N1C

DOS

IR

Vibrations