Geometry & MOs

Info

ID:	28191
PubChem CID:	826144
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	-162.06
Dipole, Da:	1.61
IP(EA), eV:	-8.51(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@]1(C2=CC(=C(C(=C2)OC)OC)OC)O

DOS

IR

Vibrations