Geometry & MOs

Info

ID:	156236
PubChem CID:	56369770
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	355.180839
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	9.49
IP(EA), eV:	-8.47(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C2=CC=CC=C2SCC3CCCO3

DOS

IR

Vibrations