Geometry & MOs

Info

ID:	333188
PubChem CID:	127251736
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	435.08351
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	1.98
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)C(=O)CC4=CC=CC=N4

DOS

IR

Vibrations