Geometry & MOs

Info

ID:	330239
PubChem CID:	127247226
Reduced:	SO3N6C14H20 (1)
Stoich.:	AB3C6D14E20 (1)
Weight, g/mol:	353.086784
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	3.68
IP(EA), eV:	-10.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC(C1)C2=C(C=NN2)S(=O)(=O)C)N3C=NC=N3

DOS

IR

Vibrations