Geometry & MOs

Info

ID:	35202
PubChem CID:	7979478
Reduced:	FSN2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	414.104956
ΔH_f, kcal/mol:	-162.4
Dipole, Da:	5.49
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluoroanilino)-2-oxoethyl] (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)OCC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations