Geometry & MOs

Info

ID:	71532
PubChem CID:	48415008
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	395.167891
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	5.94
IP(EA), eV:	-8.63(-0.58)
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]-2-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN(CC1)CCC#C)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations