Geometry & MOs

Info

ID:	348003
PubChem CID:	127273065
Reduced:	SN3O3C18H33 (1)
Stoich.:	AB3C3D18E33 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-160.85
Dipole, Da:	3.85
IP(EA), eV:	-8.95(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCCCC1)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations