Geometry & MOs

Info

ID:	71531
PubChem CID:	48415007
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-36.49
Dipole, Da:	2.61
IP(EA), eV:	-8.77(-0.31)
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-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations