Geometry & MOs

Info

ID:	27188
PubChem CID:	819255
Reduced:	N2O4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	245.930906
ΔH_f, kcal/mol:	-37.66
Dipole, Da:	4.17
IP(EA), eV:	-9.49(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)ON2)C=NC3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations