Geometry & MOs

Info

ID:	71403
PubChem CID:	48414798
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	6.81
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations