Geometry & MOs

Info

ID:	200813
PubChem CID:	79447366
Reduced:	SCl2O2C7H14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	222.003677
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	5.95
IP(EA), eV:	-10.68(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-(chloromethyl)butyl]thiophene

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCC(CCl)CCl

DOS

IR

Vibrations