Geometry & MOs

Info

ID:	208459
PubChem CID:	80532208
Reduced:	BrClOS2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	383.91981
ΔH_f, kcal/mol:	3.55
Dipole, Da:	2.65
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chlorothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(C2=CC(=C(S2)Br)Cl)O

DOS

IR

Vibrations