Geometry & MOs

Info

ID:	372628
PubChem CID:	131301157
Reduced:	BrOSF2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	222.009913
ΔH_f, kcal/mol:	-108.39
Dipole, Da:	2.99
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-nitrothiochromen-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1SC(=C2)C(F)F)CO)Br

DOS

IR

Vibrations