Geometry & MOs

Info

ID:	65064
PubChem CID:	29204416
Reduced:	ISN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	435.02439
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	9.66
IP(EA), eV:	-8.74(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)I

DOS

IR

Vibrations