Geometry & MOs

Info

ID:	77510
PubChem CID:	49649860
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	407.099143
ΔH_f, kcal/mol:	8.36
Dipole, Da:	0.9
IP(EA), eV:	-9.43(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C2=CC3=C(N2)C=C(C=C3)Br

DOS

IR

Vibrations