Geometry & MOs

Info

ID:	374241
PubChem CID:	131325747
Reduced:	BrNO2S2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	316.91798
ΔH_f, kcal/mol:	34.62
Dipole, Da:	3.67
IP(EA), eV:	-8.89(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-7-methylsulfanyl-6-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=CC(=C2S1)CBr)[N+](=O)[O-]

DOS

IR

Vibrations