Geometry & MOs

Info

ID:	300493
PubChem CID:	121357818
Reduced:	N4C11H12 (2)
Stoich.:	A4B11C12 (2)
Weight, g/mol:	594.2
ΔH_f, kcal/mol:	145.67
Dipole, Da:	6.37
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-[(1S)-3-[2-(3-fluorophenyl)acetyl]cyclohexyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=CN=C(N=C2N[C@H]3CCNC3)C4=CC=CC(=C4)C5=CN(N=C5)C

DOS

IR

Vibrations