Geometry & MOs

Info

ID:	205581
PubChem CID:	80123447
Reduced:	SN2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	23.56
Dipole, Da:	2.07
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenyl)methylsulfinyl]-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CCNC1=NC=C(C=C1)CSCC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations