Geometry & MOs

Info

ID:	330234
PubChem CID:	127247221
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	3.6
IP(EA), eV:	-9.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylimidazol-1-yl)-1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations