Geometry & MOs

Info

ID:	27174
PubChem CID:	818762
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	346.006658
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	3.14
IP(EA), eV:	-9.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formyl-2-methoxyphenyl) 3-chloro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=C1C=O)C=O

DOS

IR

Vibrations