Geometry & MOs

Info

ID:	371758
PubChem CID:	131271518
Reduced:	BrN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	240.027872
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	8.97
IP(EA), eV:	-9.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-7-methylsulfanyl-1-benzothiophen-6-yl)methanol

Drug info:

PubChemData

Smile

C=C[C@@H](C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O)N

DOS

IR

Vibrations