Geometry & MOs

Info

ID:	219408
PubChem CID:	85148370
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	480.257062
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	10.88
IP(EA), eV:	-8.69(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-dec-9-enoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(C)(C)C)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

DOS

IR

Vibrations