Geometry & MOs

Info

ID:	393368
PubChem CID:	135020334
Reduced:	SO4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	399.131802
ΔH_f, kcal/mol:	-194.82
Dipole, Da:	4.8
IP(EA), eV:	-9.12(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-hydroxy-4,5,6-trimethoxy-2-phenyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](CC1=CCC[C@@H]2OS(=O)(=O)C)O

DOS

IR

Vibrations