Geometry & MOs

Info

ID:	330211
PubChem CID:	127247198
Reduced:	SO3N5C13H17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	325.055484
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	1.44
IP(EA), eV:	-9.61(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations