Geometry & MOs

Info

ID:	161114
PubChem CID:	57390814
Reduced:	OSN7H15C17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	269.068808
ΔH_f, kcal/mol:	92.06
Dipole, Da:	7.96
IP(EA), eV:	-8.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(furan-2-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1NC2=NC(=C3C(=C(SC3=N2)C(=O)N)N)C4=CC(=CC=C4)NC#N

DOS

IR

Vibrations