Geometry & MOs

Info

ID:	329726
PubChem CID:	127246593
Reduced:	FSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-71.42
Dipole, Da:	5.69
IP(EA), eV:	-9.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-benzofuran-5-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations