Geometry & MOs

Info

ID:	76673
PubChem CID:	48425223
Reduced:	SF3N3O3C17H24 (1)
Stoich.:	AB3C3D3E17F24 (1)
Weight, g/mol:	400.160992
ΔH_f, kcal/mol:	-265.77
Dipole, Da:	4.66
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCNC(=O)C2=CC=CS2

DOS

IR

Vibrations