Geometry & MOs

Info

ID:	142715
PubChem CID:	53080436
Reduced:	FS2N3O4C20H20 (1)
Stoich.:	AB2C3D4E20F20 (1)
Weight, g/mol:	454.215095
ΔH_f, kcal/mol:	-169.16
Dipole, Da:	6.61
IP(EA), eV:	-8.79(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)CC(=O)N4CCCC4)F

DOS

IR

Vibrations