Geometry & MOs

Info

ID:	270064
PubChem CID:	103624958
Reduced:	INO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	1.82
IP(EA), eV:	-9.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[ethyl(1,3-thiazole-5-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

CCN(CC(=O)OC)C(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations