Geometry & MOs

Info

ID:	302688
PubChem CID:	124391990
Reduced:	O2N3H15C23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	487.92279
ΔH_f, kcal/mol:	91.56
Dipole, Da:	2.87
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R)-5-(3,5-dibromo-2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)N/N=C/C3=CC=C(O3)C4=CC=CC=C4C#N

DOS

IR

Vibrations