Geometry & MOs

Info

ID:	194944
PubChem CID:	78611222
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	421.149384
ΔH_f, kcal/mol:	-57.2
Dipole, Da:	4.92
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)C3CCC=CC3

DOS

IR

Vibrations