Geometry & MOs

Info

ID:	55399
PubChem CID:	17395335
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	314.072513
ΔH_f, kcal/mol:	31.2
Dipole, Da:	6.46
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC3=C(C=C(C=C3)C#N)OC

DOS

IR

Vibrations