Geometry & MOs

Info

ID:	61296
PubChem CID:	26708040
Reduced:	ClFN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	328.06147
ΔH_f, kcal/mol:	-47.55
Dipole, Da:	4.65
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-[4-(cyanomethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)F)OCC#N

DOS

IR

Vibrations