Geometry & MOs

Info

ID:	373429
PubChem CID:	131315086
Reduced:	BrN4H5C8 (1)
Stoich.:	AB4C5D8 (1)
Weight, g/mol:	256.0028
ΔH_f, kcal/mol:	90.61
Dipole, Da:	9.59
IP(EA), eV:	-9.85(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-4-methylsulfanyl-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

CN1C2=C(C(=NC=C2)C#N)N=C1Br

DOS

IR

Vibrations