Geometry & MOs

Info

ID:	56654
PubChem CID:	17504729
Reduced:	SO2N5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	4.86
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)SCC(=O)N2CCN(CC2)CC(=O)NC3CC3)CC4=CC=CC=C4

DOS

IR

Vibrations