Geometry & MOs

Info

ID:	137207
PubChem CID:	52169860
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	262.041213
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	6.18
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl) 4-phenyl-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN[C@H](C)C(=O)O)Cl

DOS

IR

Vibrations