Geometry & MOs

Info

ID:	330241
PubChem CID:	127247228
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	356.061297
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	2.85
IP(EA), eV:	-9.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations