Geometry & MOs

Info

ID:	69385
PubChem CID:	46530912
Reduced:	FSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	409.08203
ΔH_f, kcal/mol:	-21.57
Dipole, Da:	6.78
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyridazin-3-yl)-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations