Geometry & MOs

Info

ID:	89584
PubChem CID:	49962857
Reduced:	BrOS2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	324.01835
ΔH_f, kcal/mol:	10.62
Dipole, Da:	1.98
IP(EA), eV:	-9.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(4-tert-butylphenyl)methanol

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(C2=CC=C(S2)Br)O

DOS

IR

Vibrations