Geometry & MOs

Info

ID:	34815
PubChem CID:	7978964
Reduced:	SN2F3O4C17H17 (1)
Stoich.:	AB2C3D4E17F17 (1)
Weight, g/mol:	402.086113
ΔH_f, kcal/mol:	-306.03
Dipole, Da:	5.19
IP(EA), eV:	-9.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3S,7aS)-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)OCC(=O)NCC(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations