Geometry & MOs

Info

ID:	71569
PubChem CID:	48415057
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	5.54
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations