Geometry & MOs

Info

ID:	78312
PubChem CID:	49684400
Reduced:	FSN3O3C18H22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	379.112126
ΔH_f, kcal/mol:	-110.43
Dipole, Da:	6.87
IP(EA), eV:	-8.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)S(=O)(=O)NCC2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations