Geometry & MOs

Info

ID:	374316
PubChem CID:	131326614
Reduced:	NSO4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	301.94347
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	7.11
IP(EA), eV:	-9.12(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-7-methoxy-5-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=C(S2)[N+](=O)[O-])O)CO

DOS

IR

Vibrations