Geometry & MOs

Info

ID:	191553
PubChem CID:	78163194
Reduced:	N2Si2O5C24H28 (1)
Stoich.:	A2B2C5D24E28 (1)
Weight, g/mol:	427.145344
ΔH_f, kcal/mol:	-154.7
Dipole, Da:	1.88
IP(EA), eV:	-8.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-benzofuran-2-yl)ethenyl]-2-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3C(C4C5=CC6=C(C=C5C3O4)[Si](O[Si]6(C)C)(C)C)C(=N2)C(=O)OC

DOS

IR

Vibrations