Geometry & MOs

Info

ID:	188169
PubChem CID:	77677356
Reduced:	NSF4O4C15H17 (1)
Stoich.:	ABC4D4E15F17 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	-340.39
Dipole, Da:	5.38
IP(EA), eV:	-10.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide;pyrazolidine

Drug info:

PubChemData

Smile

C1CC1CS(=O)(=O)CC(C(=O)O)N(CC(F)(F)F)C2=CC=C(C=C2)F

DOS

IR

Vibrations