Geometry & MOs

Info

ID:	208432
PubChem CID:	80530254
Reduced:	SCl2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	300.014242
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	1.72
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[chloro-(3-propan-2-yloxyphenyl)methyl]thiophene

Drug info:

PubChemData

Smile

CCCCC(CC)C(C1=C(C=CS1)Cl)Cl

DOS

IR

Vibrations