Geometry & MOs

Info

ID:	373121
PubChem CID:	131310289
Reduced:	BrNSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	298.92518
ΔH_f, kcal/mol:	8.95
Dipole, Da:	4.26
IP(EA), eV:	-9.42(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC2=C(C=C(C(=C21)C=O)CBr)[N+](=O)[O-]

DOS

IR

Vibrations