Geometry & MOs

Info

ID:	302689
PubChem CID:	124391991
Reduced:	SBr2N2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	487.92279
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	1.72
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@@H]1C3=C(C(=CC(=C3)Br)Br)OC)C=CS2)C

DOS

IR

Vibrations