Geometry & MOs

Info

ID:	200814
PubChem CID:	79447367
Reduced:	SCl2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	260.019327
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	1.55
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-2-(chloromethyl)propyl]-2,3-dihydro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCC(CCl)CCl

DOS

IR

Vibrations