Geometry & MOs

Info

ID:	372782
PubChem CID:	131304665
Reduced:	ClSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	284.9556
ΔH_f, kcal/mol:	-143.25
Dipole, Da:	7.6
IP(EA), eV:	-10.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-bromo-2-oxopropyl)-4-chlorophenyl]acetonitrile

Drug info:

PubChemData

Smile

C[C@]1(CCCC[C@H]1C2(CC2)S(=O)(=O)Cl)O

DOS

IR

Vibrations