Geometry & MOs

Info

ID:	153579
PubChem CID:	56312832
Reduced:	FN2S2O5H21C22 (1)
Stoich.:	AB2C2D5E21F22 (1)
Weight, g/mol:	444.223592
ΔH_f, kcal/mol:	-180.58
Dipole, Da:	6.26
IP(EA), eV:	-8.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations