Geometry & MOs

Info

ID:	399859
PubChem CID:	135043264
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-140.18
Dipole, Da:	2.37
IP(EA), eV:	-9.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aS)-3-tert-butyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]thiazole-5,7-dione

Drug info:

PubChemData

Smile

CCCCCC(/C=C/C=C/C/C=C\CCCC(=O)O)O

DOS

IR

Vibrations