Geometry & MOs

Info

ID:	24913
PubChem CID:	614470
Reduced:	OSH16C17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	268.092186
ΔH_f, kcal/mol:	5.79
Dipole, Da:	4.09
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(4-methylphenyl)thietan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CSC2=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations