Geometry & MOs

Info

ID:	424002
PubChem CID:	135121013
Reduced:	ClFN5O5C24H29 (1)
Stoich.:	ABC5D5E24F29 (1)
Weight, g/mol:	480.155746
ΔH_f, kcal/mol:	-206.87
Dipole, Da:	2.99
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazinan-2-yl]amino]phenoxy]pyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)NC2=NC(NC(=O)N2CC3=CC=C(C=C3)Cl)OCC(=O)N(C)CCO)F

DOS

IR

Vibrations