Geometry & MOs

Info

ID:	276355
PubChem CID:	103822369
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-7.87
Dipole, Da:	11.41
IP(EA), eV:	-9.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(1,3-thiazole-5-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1CCOC(C1)C(=O)NC2=CC(=C(C=C2)C#N)C#N

DOS

IR

Vibrations