Geometry & MOs

Info

ID:	396998
PubChem CID:	135029568
Reduced:	N2O6C33H38 (1)
Stoich.:	A2B6C33D38 (1)
Weight, g/mol:	215.098
ΔH_f, kcal/mol:	-143.47
Dipole, Da:	4.81
IP(EA), eV:	-9.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7R,7aS)-3-tert-butyl-7-hydroxy-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazol-5-one

Drug info:

PubChemData

Smile

C#CC[C@@H]([C@@H](CCCCCOCC1=CC=CC=C1)N(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations