Geometry & MOs

Info

ID:	120725
PubChem CID:	50742267
Reduced:	ClFN3O3C23H25 (1)
Stoich.:	ABC3D3E23F25 (1)
Weight, g/mol:	509.350509
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	7.24
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecyl (4Z)-4-[(4-methoxyanilino)methylidene]-3-oxocyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCC4CCOCC4

DOS

IR

Vibrations