Geometry & MOs

Info

ID:	378699
PubChem CID:	134224794
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	455.209007
ΔH_f, kcal/mol:	-4.25
Dipole, Da:	2.44
IP(EA), eV:	-9.21(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[2-(2-acetamido-5-methyl-1,3-thiazol-4-yl)-3,4-dioxobutyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCC#CC(C)(C)OCC1=CC=CC=C1

DOS

IR

Vibrations