Geometry & MOs

Info

ID:	202733
PubChem CID:	79717599
Reduced:	BrON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	318.00376
ΔH_f, kcal/mol:	49.19
Dipole, Da:	3.75
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1,1-dioxothian-4-yl)-3-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC2=C3C(=C(C=C2)N)C=CC=N3)Br

DOS

IR

Vibrations