Geometry & MOs

Info

ID:	440281
PubChem CID:	135230228
Reduced:	ClSN8H13C15 (1)
Stoich.:	ABC8D13E15 (1)
Weight, g/mol:	583.341007
ΔH_f, kcal/mol:	166.29
Dipole, Da:	6.78
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-[2-hydroxy-3-(3-methylheptan-3-yloxy)propoxy]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C(=CC=C3)Cl)N=C2SCC4=NC(=CC=C4)N

DOS

IR

Vibrations