Geometry & MOs

Info

ID:	35216
PubChem CID:	7979526
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	1.79
IP(EA), eV:	-9.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations