Geometry & MOs

Info

ID:	226888
PubChem CID:	87558796
Reduced:	NCl3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	259.036188
ΔH_f, kcal/mol:	-77.02
Dipole, Da:	4.2
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] sulfamate

Drug info:

PubChemData

Smile

COC(=O)/C(=N/OC)/C1=CC=CC=C1COC2=CC(=C(C=C2)C=C(Cl)Cl)Cl

DOS

IR

Vibrations