Geometry & MOs

Info

ID:	44483
PubChem CID:	10503747
Reduced:	OCl3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	414.197714
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	3.15
IP(EA), eV:	-8.46(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[2-[(E)-[(2-methylphenyl)-(3-methylthiophen-2-yl)methylidene]amino]oxyethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C[C@]2(C(=C([C@@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations