Geometry & MOs

Info

ID:	358983
PubChem CID:	127296874
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	363.136511
ΔH_f, kcal/mol:	-14.58
Dipole, Da:	5.77
IP(EA), eV:	-9.33(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-N-(5-propan-2-yl-2-pyrimidin-2-ylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=C2)NC(=O)C3CCS(=O)(=O)C3)C4=NC=CC=N4

DOS

IR

Vibrations