Geometry & MOs

Info

ID:	184879
PubChem CID:	77223175
Reduced:	Cl2F3O5N6C18H19 (1)
Stoich.:	A2B3C5D6E18F19 (1)
Weight, g/mol:	512.058958
ΔH_f, kcal/mol:	-264.39
Dipole, Da:	2.33
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[2,4-dichloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenoxy]methyl]-4-methyl-2H-tetrazol-3-yl] acetate

Drug info:

PubChemData

Smile

CCN1C(CC(=O)N(C1=O)C2=CC(=C(C=C2Cl)Cl)OCC3=NNN(N3C)OC(=O)C)C(F)(F)F

DOS

IR

Vibrations