Geometry & MOs

Info

ID:	131355
PubChem CID:	51194419
Reduced:	SF3N3O3C16H16 (1)
Stoich.:	AB3C3D3E16F16 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-227.0
Dipole, Da:	6.87
IP(EA), eV:	-9.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C3CCS(=O)(=O)C3

DOS

IR

Vibrations