Geometry & MOs

Info

ID:	405341
PubChem CID:	135073566
Reduced:	ClN2O9C12H13 (1)
Stoich.:	AB2C9D12E13 (1)
Weight, g/mol:	388.136947
ΔH_f, kcal/mol:	-213.1
Dipole, Da:	7.12
IP(EA), eV:	-10.75(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C(C([C@@H](C(O2)CO)O)O)Cl

DOS

IR

Vibrations