Geometry & MOs

Info

ID:	68397
PubChem CID:	46508335
Reduced:	ClSF3O3N4H12C16 (1)
Stoich.:	ABC3D3E4F12G16 (1)
Weight, g/mol:	393.109149
ΔH_f, kcal/mol:	-171.8
Dipole, Da:	8.87
IP(EA), eV:	-10.04(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OCC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations