Geometry & MOs

Info

ID:	372224
PubChem CID:	131294443
Reduced:	F2N2O3H4C9 (1)
Stoich.:	A2B2C3D4E9 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-107.8
Dipole, Da:	4.56
IP(EA), eV:	-10.31(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-methoxy-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C2=NOC(=N2)C(=O)O)F

DOS

IR

Vibrations