Geometry & MOs

Info

ID:	50070
PubChem CID:	12011647
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	450.104327
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	3.86
IP(EA), eV:	-8.63(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5R,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methanesulfonic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)N)N2CC(C(C2)O)O)O

DOS

IR

Vibrations