Geometry & MOs

Info

ID:	375651
PubChem CID:	134220463
Reduced:	ClFN5O5C25H31 (1)
Stoich.:	ABC5D5E25F31 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-213.98
Dipole, Da:	9.94
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[(1E,3Z)-2-cyanopenta-1,3-dienyl]iminomethyl]-5-methylthiophen-2-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=C(C=CN2N=C1)N[C@H](C)C3=C(C=CC(=C3Cl)F)O[C@@H](C)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations