Geometry & MOs

Info

ID:	341424
PubChem CID:	127264117
Reduced:	SF3O3C11H11 (1)
Stoich.:	AB3C3D11E11 (1)
Weight, g/mol:	262.027535
ΔH_f, kcal/mol:	-275.75
Dipole, Da:	1.88
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(trifluoromethoxy)-3,4-dihydro-2H-1-benzothiepin-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)SCCCC(=O)O)OC(F)(F)F

DOS

IR

Vibrations