Geometry & MOs

Info

ID:	403817
PubChem CID:	135062016
Reduced:	FON2H16C22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	358.060801
ΔH_f, kcal/mol:	28.51
Dipole, Da:	3.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.103629
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-oxofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1C(C(=O)N[N+]1=C2C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)F

DOS

IR

Vibrations