Geometry & MOs

Info

ID:	70324
PubChem CID:	48413190
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	385.112999
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	6.28
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#C)OC1=O

DOS

IR

Vibrations