Geometry & MOs

Info

ID:	373003
PubChem CID:	131308476
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	4.83
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-hydroxy-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C2CC[C@@](C2=C(C=C1)F)(CO)N

DOS

IR

Vibrations