Geometry & MOs

Info

ID:	89581
PubChem CID:	49962831
Reduced:	BrSO2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	333.97755
ΔH_f, kcal/mol:	-13.75
Dipole, Da:	1.86
IP(EA), eV:	-9.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(2-pyrazol-1-ylphenyl)methanol

Drug info:

PubChemData

Smile

C1=COC(=C1)C(C2=CC=C(S2)Br)O

DOS

IR

Vibrations