Geometry & MOs

Info

ID:	78319
PubChem CID:	49684448
Reduced:	OSN2C7H9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	350.121275
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	4.44
IP(EA), eV:	-8.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNS(=O)(=O)C2=CC=CS2)C3=NC=CC=N3

DOS

IR

Vibrations