Geometry & MOs

Info

ID:	230119
PubChem CID:	87570250
Reduced:	O6C21H38 (1)
Stoich.:	A6B21C38 (1)
Weight, g/mol:	418.109563
ΔH_f, kcal/mol:	-346.66
Dipole, Da:	3.37
IP(EA), eV:	-10.85(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[2-[[1-[3-(2-chloro-2-fluoroethenyl)phenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate

Drug info:

PubChemData

Smile

CCCCCCC(CCC(CCCC(CCCC)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations