Geometry & MOs

Info

ID:	283732
PubChem CID:	104002199
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	243.067762
ΔH_f, kcal/mol:	-179.87
Dipole, Da:	2.69
IP(EA), eV:	-9.78(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(C)CNC(=O)NC(C)(C1CC1)C(=O)O

DOS

IR

Vibrations