Geometry & MOs

Info

ID:	372469
PubChem CID:	131298142
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	5.54
IP(EA), eV:	-8.05(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-7-methyl-2-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1NC2=C(SNC2C(=O)N1)C(CNC)O

DOS

IR

Vibrations