Geometry & MOs

Info

ID:	29239
PubChem CID:	832486
Reduced:	ClO5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	281.91726
ΔH_f, kcal/mol:	-160.28
Dipole, Da:	7.34
IP(EA), eV:	-9.81(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-methylthieno[2,3-b][1]benzothiole

Drug info:

PubChemData

Smile

CC(=CC(=O)O)/C(=C/C1=CC=C(O1)Cl)/C(=O)O

DOS

IR

Vibrations