Geometry & MOs

Info

ID:	150724
PubChem CID:	53790419
Reduced:	ClNC8H12 (1)
Stoich.:	ABC8D12 (1)
Weight, g/mol:	566.277421
ΔH_f, kcal/mol:	-1.62
Dipole, Da:	4.31
IP(EA), eV:	-9.64(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(10-carboxy-5-hydroxy-4,6,8,8-tetramethyl-7,9-dioxodecyl)-3-methyloxiran-2-yl]-4-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-3-methylbutan-2-yl]-diazonioazanide

Drug info:

PubChemData

Smile

CC1=CC=NC(C1)CCCl

DOS

IR

Vibrations