Geometry & MOs

Info

ID:	330222
PubChem CID:	127247209
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	339.071134
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	3.43
IP(EA), eV:	-9.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)CC3=CSC=C3

DOS

IR

Vibrations