Geometry & MOs

Info

ID:	71280
PubChem CID:	48414564
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	1.86
IP(EA), eV:	-8.97(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations