Geometry & MOs

Info

ID:	28168
PubChem CID:	825967
Reduced:	NC5H9 (3)
Stoich.:	AB5C9 (3)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	1.23
IP(EA), eV:	-8.32(2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,5R)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN2[C@@H](C1)[C@@H]3CCCN[C@@H]3N4[C@@H]2CCCC4

DOS

IR

Vibrations