Geometry & MOs

Info

ID:	64623
PubChem CID:	29203383
Reduced:	ClSN3O5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	309.104418
ΔH_f, kcal/mol:	-175.9
Dipole, Da:	11.98
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-chloro-N-(2-fluorophenyl)-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations