Geometry & MOs

Info

ID:	382241
PubChem CID:	134973259
Reduced:	SO2N3C16H17 (2)
Stoich.:	AB2C3D16E17 (2)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-70.96
Dipole, Da:	2.47
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2R)-3,4-dihydroxyoxolan-2-yl]-2-methylfuran-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1(C2=C(C(N3N1C(=O)N(C3=O)C4=CC=CC=C4)(C)C)SC5=C(S2)C(N6C(=O)N(C(=O)N6C5(C)C)C7=CC=CC=C7)(C)C)C

DOS

IR

Vibrations