Geometry & MOs

Info

ID:	50124
PubChem CID:	12012629
Reduced:	BrFO2N3H11C21 (1)
Stoich.:	ABC2D3E11F21 (1)
Weight, g/mol:	338.028062
ΔH_f, kcal/mol:	23.78
Dipole, Da:	4.17
IP(EA), eV:	-8.96(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-chlorophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C(=C(C(=C3O2)C4=C(C=CC(=C4)Br)F)C#N)N)C#N

DOS

IR

Vibrations