Geometry & MOs

Info

ID:	57260
PubChem CID:	22395551
Reduced:	N7O7C20H23 (1)
Stoich.:	A7B7C20D23 (1)
Weight, g/mol:	421.065202
ΔH_f, kcal/mol:	-243.32
Dipole, Da:	12.85
IP(EA), eV:	-9.65(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] sulfate

Drug info:

PubChemData

Smile

C1C2CN(C(=O)N2C3C(=N1)NC(NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations