Geometry & MOs

Info

ID:	374554
PubChem CID:	131331484
Reduced:	BrOSF3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	309.92748
ΔH_f, kcal/mol:	-157.82
Dipole, Da:	3.02
IP(EA), eV:	-9.32(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-bromo-4-(trifluoromethyl)-1-benzothiophen-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CSC2=CC(=C(C(=C21)C(F)(F)F)CO)Br

DOS

IR

Vibrations