Geometry & MOs

Info

ID:	209409
PubChem CID:	80666755
Reduced:	BrOSN3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	383.89657
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	5.18
IP(EA), eV:	-9.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[2-(bromomethyl)pyrrolidin-1-yl]sulfonylpyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SN=N1)C(=O)N2CCC(C2)CBr

DOS

IR

Vibrations