Geometry & MOs

Info

ID:	153986
PubChem CID:	56313345
Reduced:	S2N3O5C19H23 (1)
Stoich.:	A2B3C5D19E23 (1)
Weight, g/mol:	418.171556
ΔH_f, kcal/mol:	-148.35
Dipole, Da:	6.41
IP(EA), eV:	-8.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)C(=O)COC

DOS

IR

Vibrations