Geometry & MOs

Info

ID:	62452
PubChem CID:	26719734
Reduced:	FSCl2N3O4H16C21 (1)
Stoich.:	ABC2D3E4F16G21 (1)
Weight, g/mol:	337.09819
ΔH_f, kcal/mol:	-155.43
Dipole, Da:	9.38
IP(EA), eV:	-8.93(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-5-cyclopropyl-2-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations