Geometry & MOs

Info

ID:	146673
PubChem CID:	53729131
Reduced:	FSN3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	447.204573
ΔH_f, kcal/mol:	-4.64
Dipole, Da:	3.07
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-3-[4-[2-[1-(4-phenylphenyl)ethylideneamino]oxyethoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)NC2(CCCCC2C3=CN=CC=C3)CC(=S)N

DOS

IR

Vibrations