Geometry & MOs

Info

ID:	154187
PubChem CID:	56313591
Reduced:	SO2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	462.176642
ΔH_f, kcal/mol:	30.03
Dipole, Da:	6.33
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

DOS

IR

Vibrations