Geometry & MOs

Info

ID:	244127
PubChem CID:	99319081
Reduced:	F2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	429.186398
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	3.24
IP(EA), eV:	-9.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CC2=CC=CC=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations