Geometry & MOs

Info

ID:	175781
PubChem CID:	75946324
Reduced:	FN2S2O3C22H25 (1)
Stoich.:	AB2C2D3E22F25 (1)
Weight, g/mol:	461.233485
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	5.81
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(1,1-dioxo-4-piperidin-1-ium-1-ylthiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CS(=O)(=O)CC2NC(=O)C=CC3=CC=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations