Geometry & MOs

Info

ID:	35238
PubChem CID:	7979553
Reduced:	FNSO4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	399.094057
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	4.72
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluorophenyl)-2-oxoethyl] (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)OCC(=O)C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations