Geometry & MOs

Info

ID:	374164
PubChem CID:	131324700
Reduced:	BrO2N3C7H8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	348.89058
ΔH_f, kcal/mol:	-33.94
Dipole, Da:	3.12
IP(EA), eV:	-9.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-7-nitro-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=NC=NC(=C1Br)C(=O)OC

DOS

IR

Vibrations