Geometry & MOs

Info

ID:	70359
PubChem CID:	48413241
Reduced:	S2N3O4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	413.144299
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	2.31
IP(EA), eV:	-8.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations