Geometry & MOs

Info

ID:	425233
PubChem CID:	135125598
Reduced:	ClSO2F3N5H15C17 (1)
Stoich.:	ABC2D3E5F15G17 (1)
Weight, g/mol:	408.12407
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	5.15
IP(EA), eV:	-9.69(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-chloroisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)/C=C(/C3=CN=C(C=N3)Cl)\F)F)F

DOS

IR

Vibrations