Geometry & MOs

Info

ID:	253603
PubChem CID:	103119514
Reduced:	SO2N4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	235.041548
ΔH_f, kcal/mol:	37.13
Dipole, Da:	5.15
IP(EA), eV:	-9.57(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-(1,3-thiazol-5-yl)propane-1,3-dione

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations