Geometry & MOs

Info

ID:	170398
PubChem CID:	75227866
Reduced:	ClN2O7C22H27 (1)
Stoich.:	AB2C7D22E27 (1)
Weight, g/mol:	412.085971
ΔH_f, kcal/mol:	-260.2
Dipole, Da:	3.05
IP(EA), eV:	-9.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-[(6-methylsulfanylpyridazin-3-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1COCCC1OC2=NN=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl

DOS

IR

Vibrations