Geometry & MOs

Info

ID:	333193
PubChem CID:	127251741
Reduced:	S2O4N5C19H21 (1)
Stoich.:	A2B4C5D19E21 (1)
Weight, g/mol:	435.08351
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	7.98
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(C2)C3=CC(=NN3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations