Geometry & MOs

Info

ID:	77505
PubChem CID:	49649829
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	314.072513
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	7.68
IP(EA), eV:	-9.25(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-4-[2-(furan-2-yl)-1,3-thiazol-4-yl]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)C(C#N)C(=O)C3CCC3)C

DOS

IR

Vibrations