Geometry & MOs

Info

ID:	393425
PubChem CID:	135020536
Reduced:	NSO4H17C22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	360.108562
ΔH_f, kcal/mol:	-78.33
Dipole, Da:	5.65
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-phenyl-3-(trifluoromethyl)-4H-pyridazin-4-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C(C2=O)O)C4=CC=CC=C4

DOS

IR

Vibrations