Geometry & MOs

Info

ID:	267029
PubChem CID:	103580490
Reduced:	BrOSN2C9H11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	317.96738
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	4.41
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-nitro-2-(oxolan-2-ylmethylsulfanyl)pyridine

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=NC=NC=C2Br

DOS

IR

Vibrations