Geometry & MOs

Info

ID:	34846
PubChem CID:	7979005
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	-156.28
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)ethyl (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCCOC3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations