Geometry & MOs

Info

ID:	35215
PubChem CID:	7979525
Reduced:	ClFNO4C19H21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-233.96
Dipole, Da:	5.21
IP(EA), eV:	-9.08(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-pyrrolidin-1-ylethyl) (3R,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations