Geometry & MOs

Info

ID:	13830
PubChem CID:	399232
Reduced:	NSO3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	199.030314
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	6.11
IP(EA), eV:	-9.46(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-5-hydroxy-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]thiazol-7-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(N2CSCC2C1=O)O

DOS

IR

Vibrations