Geometry & MOs

Info

ID:	71270
PubChem CID:	48414549
Reduced:	SF3N3O3C18H22 (1)
Stoich.:	AB3C3D3E18F22 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-204.54
Dipole, Da:	6.93
IP(EA), eV:	-8.78(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)CCC#C)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations