Geometry & MOs

Info

ID:	175338
PubChem CID:	75884791
Reduced:	SF3N3O4C20H20 (1)
Stoich.:	AB3C3D4E20F20 (1)
Weight, g/mol:	446.056207
ΔH_f, kcal/mol:	-248.24
Dipole, Da:	9.31
IP(EA), eV:	-9.65(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyridazin-3-yl)-N-[2-oxo-5-(trifluoromethyl)pyridin-3-ylidene]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)N=C3C=C(C=NC3=O)C(F)(F)F)C

DOS

IR

Vibrations