Geometry & MOs

Info

ID:	78323
PubChem CID:	49684475
Reduced:	SF2O2N4C16H18 (1)
Stoich.:	AB2C2D4E16F18 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	3.77
IP(EA), eV:	-8.75(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNS(=O)(=O)C2=C(C=CC(=C2)F)F)C3=NC=CC=N3

DOS

IR

Vibrations