Geometry & MOs

Info

ID:	237285
PubChem CID:	92718087
Reduced:	O2S3N5C20H21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	439.143116
ΔH_f, kcal/mol:	5.94
Dipole, Da:	4.22
IP(EA), eV:	-8.52(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C1SCC3=CC(=O)N4C(=N3)SC(=N4)CC)SC5=C2CCC5

DOS

IR

Vibrations