Geometry & MOs

Info

ID:	34814
PubChem CID:	7978963
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	402.086113
ΔH_f, kcal/mol:	-10.15
Dipole, Da:	6.77
IP(EA), eV:	-8.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations