Geometry & MOs

Info

ID:	330230
PubChem CID:	127247217
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	351.105291
ΔH_f, kcal/mol:	-103.37
Dipole, Da:	3.78
IP(EA), eV:	-9.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations