Geometry & MOs

Info

ID:	35205
PubChem CID:	7979484
Reduced:	FSN2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-163.63
Dipole, Da:	7.17
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylmethylamino)-2-oxoethyl] (3R,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)NC3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations