Geometry & MOs

Info

ID:	151368
PubChem CID:	53801151
Reduced:	SN2O4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	428.224199
ΔH_f, kcal/mol:	-132.95
Dipole, Da:	4.52
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[2-[2-[2-chloro-4-fluoro-N-(2-methylpropyl)anilino]ethoxy]ethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)C1=C(N2[C@H](C(C2=O)N)SC1)C(=O)O

DOS

IR

Vibrations