Geometry & MOs

Info

ID:	414210
PubChem CID:	135087166
Reduced:	O5C12H14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	316.113316
ΔH_f, kcal/mol:	-166.2
Dipole, Da:	2.17
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-1-(4-propan-2-ylphenyl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C(C(=O)OC)OC

DOS

IR

Vibrations