Geometry & MOs

Info

ID:	133138
PubChem CID:	51483465
Reduced:	FSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	415.082265
ΔH_f, kcal/mol:	-101.8
Dipole, Da:	5.49
IP(EA), eV:	-8.32(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCCOC2=CC=C(C=C2)F)C)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations