Geometry & MOs

Info

ID:	375254
PubChem CID:	131485229
Reduced:	ClSF2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	227.075785
ΔH_f, kcal/mol:	-152.79
Dipole, Da:	3.48
IP(EA), eV:	-9.61(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,8-difluoro-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C(=CS2)C(=O)O)C(F)F)Cl

DOS

IR

Vibrations