Geometry & MOs

Info

ID:	232412
PubChem CID:	87576142
Reduced:	ClFON4C15H16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	646.217898
ΔH_f, kcal/mol:	-42.85
Dipole, Da:	3.48
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;4-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)N2CC(C3=C2N=C(N=C3Cl)N)CO

DOS

IR

Vibrations