Geometry & MOs

Info

ID:	330219
PubChem CID:	127247206
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	2.38
IP(EA), eV:	-10.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1-propan-2-ylpyrazole

Drug info:

PubChemData

Smile

CC1=NC=NC=C1C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations