Geometry & MOs

Info

ID:	244126
PubChem CID:	99319079
Reduced:	Cl2F2N3O3H19C21 (1)
Stoich.:	A2B2C3D3E19F21 (1)
Weight, g/mol:	429.186398
ΔH_f, kcal/mol:	-195.83
Dipole, Da:	4.88
IP(EA), eV:	-9.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations