Geometry & MOs

Info

ID:	62484
PubChem CID:	26719779
Reduced:	ClSF2N3O4H16C21 (1)
Stoich.:	ABC2D3E4F16G21 (1)
Weight, g/mol:	321.12774
ΔH_f, kcal/mol:	-193.73
Dipole, Da:	6.49
IP(EA), eV:	-9.04(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations