Geometry & MOs

Info

ID:	131639
PubChem CID:	51237940
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	321.135638
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	2.96
IP(EA), eV:	-8.67(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations