Geometry & MOs

Info

ID:	70310
PubChem CID:	48413167
Reduced:	ClSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-18.63
Dipole, Da:	3.39
IP(EA), eV:	-8.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazin-1-yl)sulfonyl-8-methoxyquinoline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations