Geometry & MOs

Info

ID:	73102
PubChem CID:	48416995
Reduced:	SO3N5H15C18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	388.089558
ΔH_f, kcal/mol:	11.49
Dipole, Da:	5.08
IP(EA), eV:	-9.28(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations