Geometry & MOs

Info

ID:	149517
PubChem CID:	53789190
Reduced:	SO2N3C5H11 (1)
Stoich.:	AB2C3D5E11 (1)
Weight, g/mol:	414.11371
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	2.6
IP(EA), eV:	-9.21(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-methylsulfonylphenoxy)phenyl]-2-propanoylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=NCCN1

DOS

IR

Vibrations