Geometry & MOs

Info

ID:	25842
PubChem CID:	631656
Reduced:	OSCl2N2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	349.91678
ΔH_f, kcal/mol:	14.94
Dipole, Da:	4.2
IP(EA), eV:	-8.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(4-chlorophenyl)thiochromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C(=C1)N)N=CC=C2)SC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations