Geometry & MOs

Info

ID:	402814
PubChem CID:	135057386
Reduced:	SO4H8C9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	314.13068
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	4.63
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(O2)S(=O)O

DOS

IR

Vibrations