Geometry & MOs

Info

ID:	154220
PubChem CID:	56313626
Reduced:	FN3O4C28H28 (1)
Stoich.:	AB3C4D28E28 (1)
Weight, g/mol:	464.159278
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	4.18
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCC(CC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations