Geometry & MOs

Info

ID:	160378
PubChem CID:	57309726
Reduced:	F3N3C16H18 (1)
Stoich.:	A3B3C16D18 (1)
Weight, g/mol:	378.141342
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	7.71
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-fluoro-1-(propylsulfonylamino)propan-2-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2C=CC(=N2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations