Geometry & MOs

Info

ID:	77526
PubChem CID:	49649930
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-109.63
Dipole, Da:	4.92
IP(EA), eV:	-9.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations