Geometry & MOs

Info

ID:	372724
PubChem CID:	131303312
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	240.027872
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	2.86
IP(EA), eV:	-8.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-methylsulfanyl-1-benzothiophen-7-ol

Drug info:

PubChemData

Smile

CC1=C2C(=CSC2=C(C=C1)Br)CC(=O)OC

DOS

IR

Vibrations