Geometry & MOs

Info

ID:	51167
PubChem CID:	12013801
Reduced:	BrO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	239.040485
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	4.79
IP(EA), eV:	-9.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-[1]benzothiolo[3,2-e]indol-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@H](C([C@@H](CC=C(Br)Br)O)O)O

DOS

IR

Vibrations