Geometry & MOs

Info

ID:	205583
PubChem CID:	80123692
Reduced:	ClO2S2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	2.52
IP(EA), eV:	-8.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylphenyl)methylsulfinyl]pentan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CS(=O)C(C)C(=O)C2=CC=C(S2)Cl)C

DOS

IR

Vibrations