Geometry & MOs

Info

ID:	77555
PubChem CID:	49655430
Reduced:	ClFN4O4H20C22 (1)
Stoich.:	ABC4D4E20F22 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-137.02
Dipole, Da:	8.92
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzylamino)-2-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC)NC(=O)N2CCC3=C(C2C4=CC(=C(C=C4)F)Cl)N=CN3

DOS

IR

Vibrations