Geometry & MOs

Info

ID:	34900
PubChem CID:	7979068
Reduced:	OS2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	54.53
Dipole, Da:	7.22
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations