Geometry & MOs

Info

ID:	366254
PubChem CID:	127319711
Reduced:	SN3O5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	395.10704
ΔH_f, kcal/mol:	-218.19
Dipole, Da:	10.1
IP(EA), eV:	-9.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations