Geometry & MOs

Info

ID:	208458
PubChem CID:	80532207
Reduced:	BrClOS2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	321.88885
ΔH_f, kcal/mol:	15.66
Dipole, Da:	2.47
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(C2=CC(=C(S2)Br)Cl)O

DOS

IR

Vibrations