Geometry & MOs

Info

ID:	177834
PubChem CID:	76239576
Reduced:	SO3N7C19H31 (1)
Stoich.:	AB3C7D19E31 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	2.63
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-N-pentylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CSC2=NN=CN2C3CC3

DOS

IR

Vibrations