Geometry & MOs

Info

ID:	61403
PubChem CID:	26708943
Reduced:	ClO2N3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	325.058421
ΔH_f, kcal/mol:	13.37
Dipole, Da:	2.36
IP(EA), eV:	-8.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2NC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations