Geometry & MOs

Info

ID:	172092
PubChem CID:	75465197
Reduced:	FON5H12C17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	44.69
Dipole, Da:	7.54
IP(EA), eV:	-8.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpropyl)-2-[[4-oxo-4-(propylamino)butanoyl]amino]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=NN2C4=CC=C(C=C4)F)C(=O)NN=C3N

DOS

IR

Vibrations