Geometry & MOs

Info

ID:	234311
PubChem CID:	92298147
Reduced:	O3H8C9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	357.105981
ΔH_f, kcal/mol:	-135.9
Dipole, Da:	2.49
IP(EA), eV:	-8.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-2-nitroethenyl]phenoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)[C@H]2[C@@H](O2)C3=CC4=C(C=C3)OCO4)OC

DOS

IR

Vibrations