Geometry & MOs

Info

ID:	262374
PubChem CID:	103288934
Reduced:	ClNOSC15H16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	304.068864
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	2.23
IP(EA), eV:	-8.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN)SCC2=CC=CC=C2Cl

DOS

IR

Vibrations