Geometry & MOs

Info

ID:	435426
PubChem CID:	135191443
Reduced:	SO2N8C20H20 (1)
Stoich.:	AB2C8D20E20 (1)
Weight, g/mol:	478.260039
ΔH_f, kcal/mol:	84.19
Dipole, Da:	7.77
IP(EA), eV:	-8.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[(2S,3S,4R,6R)-6-[(4S,6R)-6-ethyl-4-hydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methylsulfanyl]propyl]-7-hydroxyheptan-2-one

Drug info:

PubChemData

Smile

C/C(=C\C=C/1\C=NNC1=C)/NC2=NC3=C(C=CN3)C(=N2)NC4=CC(=CC=C4)S(=O)(=O)N

DOS

IR

Vibrations