Geometry & MOs

Info

ID:	413246
PubChem CID:	135086193
Reduced:	OCl3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	308.027393
ΔH_f, kcal/mol:	-80.39
Dipole, Da:	3.27
IP(EA), eV:	-10.47(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-1-(2-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CCCC(C)C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations