Geometry & MOs

Info

ID:	313761
PubChem CID:	126617474
Reduced:	OCl3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	526.115016
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	2.6
IP(EA), eV:	-9.52(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-chloro-3-[6-(4-chloro-3-propan-2-ylphenyl)-4-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C2=NC(=NC(=N2)OC)C3=C(C=CC(=C3)CN)Cl)Cl.Cl

DOS

IR

Vibrations