Geometry & MOs

Info

ID:	181379
PubChem CID:	76737011
Reduced:	ClFN3O5H19C28 (1)
Stoich.:	ABC3D5E19F28 (1)
Weight, g/mol:	550.032609
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	4.92
IP(EA), eV:	-9.21(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C3C(=C(C=C2N1CC4=CC5C=CC(=O)C=C5N=C4Cl)F)C=CO3)C6C=CC=NC6=O

DOS

IR

Vibrations