Geometry & MOs

Info

ID:	71639
PubChem CID:	48415145
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	408.183127
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	8.83
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations