Geometry & MOs

Info

ID:	71510
PubChem CID:	48414977
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	405.208613
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	4.94
IP(EA), eV:	-9.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations