Geometry & MOs

Info

ID:	154298
PubChem CID:	56313711
Reduced:	ClSO2F3N4C16H16 (1)
Stoich.:	ABC2D3E4F16G16 (1)
Weight, g/mol:	402.176642
ΔH_f, kcal/mol:	-177.37
Dipole, Da:	3.76
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NNC(=O)CSC2=CC=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations