Geometry & MOs

Info

ID:	34812
PubChem CID:	7978961
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	402.086113
ΔH_f, kcal/mol:	-167.91
Dipole, Da:	5.22
IP(EA), eV:	-9.31(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)COC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations