Geometry & MOs

Info

ID:	330227
PubChem CID:	127247214
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-104.68
Dipole, Da:	3.28
IP(EA), eV:	-9.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations