Geometry & MOs

Info

ID:	71273
PubChem CID:	48414556
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	3.37
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-4-(4-but-3-ynylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations