Geometry & MOs

Info

ID:	403543
PubChem CID:	135060761
Reduced:	OH20C25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	362.076593
ΔH_f, kcal/mol:	61.37
Dipole, Da:	3.02
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-5-oxo-3-phenyl-2-[4-(trifluoromethyl)phenyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C1C2[C@@H](C3C1C3(C4=CC=CC=C24)C(=O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations