Geometry & MOs

Info

ID:	403275
PubChem CID:	135059491
Reduced:	N2O3S3H6C15F18 (1)
Stoich.:	A2B3C3D6E15F18 (1)
Weight, g/mol:	252.11503
ΔH_f, kcal/mol:	-1007.61
Dipole, Da:	7.39
IP(EA), eV:	-9.69(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-5-methyl-1-benzofuran

Drug info:

PubChemData

Smile

C1C(O/C(=N\C2(OC(CS2)(C(F)(F)F)C(F)(F)F)/N=C\3/OC(CS3)(C(F)(F)F)C(F)(F)F)/S1)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations