Geometry & MOs

Info

ID:	36900
PubChem CID:	8014441
Reduced:	N2F3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-285.42
Dipole, Da:	4.91
IP(EA), eV:	-9.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations