Geometry & MOs

Info

ID:	374937
PubChem CID:	131407346
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	4.54
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-5-formyl-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)[C@]2(C(=O)OC)N

DOS

IR

Vibrations