Geometry & MOs

Info

ID:	35078
PubChem CID:	7979280
Reduced:	FNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	371.099143
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	4.58
IP(EA), eV:	-9.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)methyl (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)OCC3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations