Geometry & MOs

Info

ID:	374373
PubChem CID:	131327575
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	3.96
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-formyl-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C(=C2C1)Cl)O)C(CC#N)N

DOS

IR

Vibrations