Geometry & MOs

Info

ID:	32384
PubChem CID:	7741694
Reduced:	O2S2N3H13C20 (1)
Stoich.:	A2B2C3D13E20 (1)
Weight, g/mol:	407.97794
ΔH_f, kcal/mol:	69.89
Dipole, Da:	7.19
IP(EA), eV:	-9.1(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(4-bromophenoxy)propanoate

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)N=C(S2)[C@@H](C#N)C4=NS(=O)(=O)C5=CC=CC=C54

DOS

IR

Vibrations