Geometry & MOs

Info

ID:	78322
PubChem CID:	49684461
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	368.111853
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	4.16
IP(EA), eV:	-8.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations