Geometry & MOs

Info

ID:	342860
PubChem CID:	127266023
Reduced:	ClFSO2N3C13H15 (1)
Stoich.:	ABCD2E3F13G15 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-85.18
Dipole, Da:	6.85
IP(EA), eV:	-9.39(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1C(C)NS(=O)(=O)C2=CC(=CC(=C2)F)Cl

DOS

IR

Vibrations