Geometry & MOs

Info

ID:	124039
PubChem CID:	50870561
Reduced:	SO3N7C26H31 (1)
Stoich.:	AB3C7D26E31 (1)
Weight, g/mol:	543.239416
ΔH_f, kcal/mol:	9.85
Dipole, Da:	4.68
IP(EA), eV:	-8.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N/NC2=NC(=NC(=N2)N3CCCCC3)N4CCCCC4)OC(=O)C5=CC=CS5

DOS

IR

Vibrations