Geometry & MOs

Info

ID:	77535
PubChem CID:	49650007
Reduced:	ClSN2O5C16H17 (1)
Stoich.:	ABC2D5E16F17 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-101.08
Dipole, Da:	5.37
IP(EA), eV:	-9.8(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)C(C#N)C(=O)C2CCC2)Cl

DOS

IR

Vibrations