Geometry & MOs

Info

ID:	284942
PubChem CID:	104084608
Reduced:	ClSF2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	230.053214
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	2.3
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-4-(3-methoxypropylsulfanyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCl)SCC(F)F

DOS

IR

Vibrations