Geometry & MOs

Info

ID:	372338
PubChem CID:	131296369
Reduced:	OCl2F3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-199.24
Dipole, Da:	1.4
IP(EA), eV:	-10.2(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-5-nitro-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC(=C1)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations