Geometry & MOs

Info

ID:	333185
PubChem CID:	127251733
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	421.06786
ΔH_f, kcal/mol:	-45.21
Dipole, Da:	4.65
IP(EA), eV:	-8.74(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCC(C1)C2=CC(=NN2)C(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations