Geometry & MOs

Info

ID:	407733
PubChem CID:	135080488
Reduced:	SO4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	213.985528
ΔH_f, kcal/mol:	-151.45
Dipole, Da:	3.95
IP(EA), eV:	-9.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloroprop-1-ynylsulfonylbenzene

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@H](CCS1(=O)=O)C2=CC=CC=C2

DOS

IR

Vibrations