Geometry & MOs

Info

ID:	85045
PubChem CID:	49871450
Reduced:	N3F6O9C32H43 (1)
Stoich.:	A3B6C9D32E43 (1)
Weight, g/mol:	270.085621
ΔH_f, kcal/mol:	-732.46
Dipole, Da:	7.04
IP(EA), eV:	-9.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-(4-fluorophenyl)-5-(4-methylphenyl)furan

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H](C(C(F)(F)F)C(F)(F)F)N(C[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations