Geometry & MOs

Info

ID:	35112
PubChem CID:	7979332
Reduced:	NSO4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	319.087829
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	2.41
IP(EA), eV:	-9.12(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)COC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations