Geometry & MOs

Info

ID:	323849
PubChem CID:	126676322
Reduced:	ON4C10H13 (2)
Stoich.:	AB4C10D13 (2)
Weight, g/mol:	523.15772
ΔH_f, kcal/mol:	14.25
Dipole, Da:	6.52
IP(EA), eV:	-8.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-(2-fluoro-4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations