Geometry & MOs

Info

ID:	227725
PubChem CID:	87562319
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	1012.083075
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	7.48
IP(EA), eV:	-8.58(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-6-oxo-5-propan-2-ylpyridazin-1-yl]methyl] butanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=CC3=C(C=C2)N(C=C3/C=N/O)C(C)C)OC

DOS

IR

Vibrations