Geometry & MOs

Info

ID:	71288
PubChem CID:	48414574
Reduced:	OSN5C15H23 (1)
Stoich.:	ABC5D15E23 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	46.94
Dipole, Da:	5.46
IP(EA), eV:	-8.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations