Geometry & MOs

Info

ID:	69386
PubChem CID:	46530914
Reduced:	SO2F3N5H14C17 (1)
Stoich.:	AB2C3D5E14F17 (1)
Weight, g/mol:	399.075465
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	7.59
IP(EA), eV:	-8.31(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)SC)C(F)(F)F

DOS

IR

Vibrations