Geometry & MOs

Info

ID:	263564
PubChem CID:	103378829
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	2.33
Dipole, Da:	6.14
IP(EA), eV:	-8.45(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(CNC1=C(C(=NS1)N)C2=CC=CC=C2)CO

DOS

IR

Vibrations