Geometry & MOs

Info

ID:	34981
PubChem CID:	7979161
Reduced:	NOSC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-15.47
Dipole, Da:	1.03
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C3SCCS3

DOS

IR

Vibrations