Geometry & MOs

Info

ID:	61791
PubChem CID:	26713147
Reduced:	ClSO3N6H15C17 (1)
Stoich.:	ABC3D6E15F17 (1)
Weight, g/mol:	430.186813
ΔH_f, kcal/mol:	61.61
Dipole, Da:	2.88
IP(EA), eV:	-9.43(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-phenylphenyl)ethyl]-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

DOS

IR

Vibrations