Geometry & MOs

Info

ID:	70346
PubChem CID:	48413221
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	10.0
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-but-3-ynylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations