Geometry & MOs

Info

ID:	157033
PubChem CID:	56413040
Reduced:	O2F3N3H20C23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	451.154133
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	7.14
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=C(C=C2)C(F)(F)F)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations