Geometry & MOs

Info

ID:	201408
PubChem CID:	79535983
Reduced:	BrNS2O3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	5.7
IP(EA), eV:	-9.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]benzamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2CCCC2=O)S(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations