Geometry & MOs

Info

ID:	208428
PubChem CID:	80530221
Reduced:	BrSCl2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	261.944448
ΔH_f, kcal/mol:	26.12
Dipole, Da:	3.55
IP(EA), eV:	-9.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(C2=C(C=CS2)Cl)Cl

DOS

IR

Vibrations