Geometry & MOs

Info

ID:	330212
PubChem CID:	127247199
Reduced:	S2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	325.055484
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	5.83
IP(EA), eV:	-9.49(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)C3=CC=CS3

DOS

IR

Vibrations