Geometry & MOs

Info

ID:	162452
PubChem CID:	57394706
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	459.174039
ΔH_f, kcal/mol:	-57.54
Dipole, Da:	9.65
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methyl-5-(pyridin-3-ylsulfonylamino)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1=CN(N=C1NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations