Geometry & MOs

Info

ID:	374561
PubChem CID:	131331546
Reduced:	FINO3H5C8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	3.89
IP(EA), eV:	-10.39(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-formyl-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1I)[N+](=O)[O-])F

DOS

IR

Vibrations