Geometry & MOs

Info

ID:	137827
PubChem CID:	52268189
Reduced:	O2F3N5H16C19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	326.989898
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	4.69
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-fluoro-N-(3-methylsulfonylpropyl)benzamide

Drug info:

PubChemData

Smile

C1[C@H](OC2=CC=CC=C21)CNC(=O)NC3=C(C=C(C=C3)N4C=NC=N4)C(F)(F)F

DOS

IR

Vibrations