Geometry & MOs

Info

ID:	136965
PubChem CID:	52131618
Reduced:	ClN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	413.106336
ΔH_f, kcal/mol:	-17.05
Dipole, Da:	2.04
IP(EA), eV:	-8.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)C2=CC3=C(O2)C(=CC=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations