Geometry & MOs

Info

ID:	268793
PubChem CID:	103600945
Reduced:	ClNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	320.063779
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	6.47
IP(EA), eV:	-8.33(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(2-chlorophenyl)methylsulfanyl]ethoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations