Geometry & MOs

Info

ID:	154651
PubChem CID:	56314136
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	457.138004
ΔH_f, kcal/mol:	-128.36
Dipole, Da:	4.97
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations