Geometry & MOs

Info

ID:	35130
PubChem CID:	7979362
Reduced:	NOSC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	347.082744
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	2.49
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations