Geometry & MOs

Info

ID:	34939
PubChem CID:	7979111
Reduced:	SCl2N2O2H16C17 (1)
Stoich.:	AB2C2D2E16F17 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	1.32
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)CCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations