Geometry & MOs

Info

ID:	323850
PubChem CID:	126676323
Reduced:	FSN3O5H26C27 (1)
Stoich.:	ABC3D5E26F27 (1)
Weight, g/mol:	512.20597
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	2.84
IP(EA), eV:	-9.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCCCC4)C(=O)NC5(CC5)C#N)F

DOS

IR

Vibrations