Geometry & MOs

Info

ID:	69383
PubChem CID:	46530908
Reduced:	SO2F3N5H20C24 (1)
Stoich.:	AB2C3D5E20F24 (1)
Weight, g/mol:	381.084887
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	6.46
IP(EA), eV:	-8.13(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)OC)C(F)(F)F)C

DOS

IR

Vibrations