Geometry & MOs

Info

ID:	266919
PubChem CID:	103580064
Reduced:	BrClON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	305.95931
ΔH_f, kcal/mol:	9.7
Dipole, Da:	4.65
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-3-chloropyridin-2-yl)-1,4-thiazepane

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations