Geometry & MOs

Info

ID:	397902
PubChem CID:	135030932
Reduced:	Br2H33C35 (2)
Stoich.:	A2B33C35 (2)
Weight, g/mol:	240.04563
ΔH_f, kcal/mol:	119.14
Dipole, Da:	0.53
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,6-trimethoxy-1-benzothiophen-4-one

Drug info:

Smile

CC(C)(C)C1=CC(=CC(=C1)C2=CC(=C(C(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C5=C(C=C(C=C5C6=CC=C(C=C6)Br)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC=C(C=C8)Br)C9=CC=C(C=C9)Br)C(C)(C)C

DOS

IR

Vibrations