Geometry & MOs

Info

ID:	330233
PubChem CID:	127247220
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	4.55
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C)C

DOS

IR

Vibrations