Geometry & MOs

Info

ID:	38018
PubChem CID:	8026421
Reduced:	FSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	383.139368
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	8.06
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC=C3)F)C

DOS

IR

Vibrations